UCSF

ZINC02027188

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 17 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) -0.13 4.52 -9.42 2 7 0 85 235.247 3
Mid Mid (pH 6-8) -0.13 4.94 -37.44 3 7 1 86 236.255 3

Activity (Go SEA)

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