UCSF

ZINC19423746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 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) 2.27 5.98 -121.78 4 2 2 32 212.381 2
Mid Mid (pH 6-8) 2.27 4.12 -43.17 3 2 1 31 211.373 2

Activity (Go SEA)

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