UCSF

ZINC07990091

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 29 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) 0.99 1.39 -16.64 3 9 0 120 419.459 5
Mid Mid (pH 6-8) 1.06 -0.47 -47.85 4 9 1 125 420.467 5

Activity (Go SEA)

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