UCSF

ZINC19427500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 21 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) 1.63 4.24 -43.09 5 5 1 86 292.403 7
Hi High (pH 8-9.5) 1.63 3.91 -12.51 4 5 0 84 291.395 7

Activity (Go SEA)

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