UCSF

ZINC19815174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 14 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) 0.50 3.18 -90.77 4 3 2 45 193.294 2
Hi High (pH 8-9.5) 0.50 3.05 -47.91 3 3 1 44 192.286 2

Activity (Go SEA)

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