UCSF

ZINC34613145

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 0.64 13.29 -102.43 1 6 0 70 385.439 4
Hi High (pH 8-9.5) 0.64 11.09 -66.49 0 6 -1 69 384.431 4
Mid Mid (pH 6-8) 0.64 11.29 -56.32 2 6 1 67 386.447 4
Lo Low (pH 4.5-6) -2.11 10.63 -78.64 2 6 1 73 386.447 3

Activity (Go SEA)

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