UCSF

ZINC34571695

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 36 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) 6.64 16.93 -47.02 2 3 1 34 487.545 6
Mid Mid (pH 6-8) 6.64 14.65 -11.57 1 3 0 32 486.537 6

Activity (Go SEA)

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