UCSF

ZINC02577930

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 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) 3.15 7.73 -5.86 1 2 0 25 234.302 3
Mid Mid (pH 6-8) 3.15 8.21 -31.17 2 2 1 26 235.31 3

Activity (Go SEA)

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