UCSF

ZINC07052485

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 19 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) 2.58 4.88 -14.9 1 4 0 63 275.329 4
Mid Mid (pH 6-8) 2.58 4.96 -51.02 0 4 -1 65 274.321 4

Activity (Go SEA)

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