UCSF

ZINC00858595

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 22 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) 2.36 1.89 -42.53 1 6 -1 94 339.418 5
Hi High (pH 8-9.5) 2.36 1.9 -102.86 0 6 -2 96 338.41 5

Activity (Go SEA)

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