UCSF

ZINC15592730

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 2.75 -50.14 1 7 -1 90 420.486 7
Mid Mid (pH 6-8) 2.36 2.26 -47.4 3 7 1 92 422.502 7
Mid Mid (pH 6-8) 2.36 1.37 -48.12 3 7 1 93 422.502 7
Mid Mid (pH 6-8) 2.36 2.38 -65.53 2 7 0 95 421.494 7
Mid Mid (pH 6-8) 2.36 -0.01 -11.14 2 7 0 91 421.494 7
Mid Mid (pH 6-8) 2.36 1.49 -51.29 2 7 0 95 421.494 7
Mid Mid (pH 6-8) 2.29 2.63 -16.74 2 7 0 88 421.494 7
Lo Low (pH 4.5-6) 2.36 3.64 -127.66 4 7 2 94 423.51 7
Lo Low (pH 4.5-6) 2.29 4.9 -55.31 3 7 1 89 422.502 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )