UCSF

ZINC21729500

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 3.31 6.23 -63.19 2 7 1 80 418.539 7
Mid Mid (pH 6-8) 3.31 7.12 -20.05 1 7 0 79 417.531 7

Activity (Go SEA)

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