UCSF

ZINC09630997

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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) 3.03 4.12 -16.55 1 8 0 102 462.549 6
Mid Mid (pH 6-8) 3.03 4.12 -52.52 0 8 -1 104 461.541 6

Activity (Go SEA)

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