UCSF

ZINC44679392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.28 6.35 -93.48 5 3 2 44 261.413 6
Hi High (pH 8-9.5) 1.28 6.01 -32.08 4 3 1 42 260.405 6
Hi High (pH 8-9.5) 1.28 3.95 -40.8 4 3 1 43 260.405 6

Activity (Go SEA)

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