UCSF

ZINC00514733

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.91 8.82 -7.1 1 2 0 29 253.345 3
Mid Mid (pH 6-8) 3.98 7.41 -7.47 2 2 0 34 254.353 3

Activity (Go SEA)

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