UCSF

ZINC36677431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 3.54 8.89 -37.08 1 2 1 28 211.373 9
Hi High (pH 8-9.5) 3.54 7.34 -4.96 0 2 0 27 210.365 9

Activity (Go SEA)

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