UCSF

ZINC44723507

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 12 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) 1.15 3.07 -31.09 2 3 1 35 176.28 8
Hi High (pH 8-9.5) 1.15 1.84 -2.8 1 3 0 30 175.272 8

Activity (Go SEA)

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