UCSF

ZINC37806173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.03 0.53 -51.19 4 6 1 80 285.412 6
Hi High (pH 8-9.5) 0.03 0.2 -14.09 3 6 0 79 284.404 6
Mid Mid (pH 6-8) 0.03 2.68 -109.78 5 6 2 81 286.42 6

Activity (Go SEA)

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