UCSF

ZINC34592599

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 34 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) 3.25 5.1 -17.4 3 7 0 102 484.618 11
Mid Mid (pH 6-8) 3.25 7.32 -45.35 4 7 1 103 485.626 11

Activity (Go SEA)

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