UCSF

ZINC09263360

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 31 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) 2.64 10.84 -24.96 1 7 0 80 439.516 7
Mid Mid (pH 6-8) 2.70 9.6 -43.4 2 7 1 85 440.524 7

Activity (Go SEA)

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