UCSF

ZINC40493617

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 2.67 4.97 -36.12 3 3 1 46 215.361 7
Hi High (pH 8-9.5) 2.67 4.02 -6.88 2 3 0 41 214.353 7

Activity (Go SEA)

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