UCSF

ZINC07911758

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2006 22 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) 2.88 5.22 -10.83 2 5 0 63 294.31 3
Mid Mid (pH 6-8) 2.95 3.81 -43.9 3 5 1 68 295.318 3

Activity (Go SEA)

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