UCSF

ZINC41720379

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 3.55 8.05 -28.7 2 2 1 26 253.3 3
Hi High (pH 8-9.5) 3.55 7.62 -8.08 1 2 0 25 252.292 3

Activity (Go SEA)

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