UCSF

ZINC41720092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) 1.73 7.63 -36.11 1 3 1 41 212.276 3
Hi High (pH 8-9.5) 1.73 7.2 -10.08 0 3 0 40 211.268 3

Activity (Go SEA)

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