UCSF

ZINC45686854

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.79 7.36 -88.74 3 3 2 24 259.482 12
Mid Mid (pH 6-8) 2.79 9.84 -173.89 4 3 3 25 260.49 12
Mid Mid (pH 6-8) 2.79 7.68 -80.28 3 3 2 24 259.482 12

Activity (Go SEA)

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