UCSF

ZINC05012651

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 28 No

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) -0.82 3.11 -24.72 4 13 0 183 408.4 5
Mid Mid (pH 6-8) -0.82 3.53 -52.63 5 13 1 184 409.408 5

Activity (Go SEA)

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