UCSF

ZINC44686204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 2.96 8.54 -32.18 2 3 1 26 350.28 6
Hi High (pH 8-9.5) 2.96 6.14 -3.95 1 3 0 24 349.272 6

Activity (Go SEA)

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