UCSF

ZINC00470757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 3.42 -1.28 -14.04 1 6 0 81 349.408 7
Hi High (pH 8-9.5) 3.42 -0.81 -45.45 0 6 -1 83 348.4 7

Activity (Go SEA)

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