UCSF

ZINC36778550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.92 8.31 -47.76 2 3 1 34 274.363 4
Mid Mid (pH 6-8) 1.92 6.93 -7.64 1 3 0 30 273.355 4
Lo Low (pH 4.5-6) 1.92 8.47 -109.33 3 3 2 36 275.371 4

Activity (Go SEA)

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