UCSF

ZINC36865065

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 4.53 5.19 -47.55 3 4 1 67 315.224 5
Hi High (pH 8-9.5) 4.53 4.95 -5.58 2 4 0 65 314.216 5

Activity (Go SEA)

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