UCSF

ZINC42530626

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 1.31 6.95 -47.35 2 4 1 57 252.382 6
Mid Mid (pH 6-8) 1.31 4.57 -9.86 1 4 0 56 251.374 6

Activity (Go SEA)

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