UCSF

ZINC34601962

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 5.35 12.58 -52.99 0 5 -1 67 379.48 8
Mid Mid (pH 6-8) 5.35 13.38 -56.77 1 5 0 68 380.488 8

Activity (Go SEA)

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