UCSF

ZINC45083231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 1.33 7.24 -47.28 1 4 1 34 253.366 2
Mid Mid (pH 6-8) 1.33 5.07 -10.92 0 4 0 33 252.358 2

Activity (Go SEA)

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