UCSF

ZINC08012111

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 25 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) 2.72 10.72 -16.37 0 7 0 79 340.383 4
Mid Mid (pH 6-8) 2.72 11.2 -51.92 1 7 1 80 341.391 4

Activity (Go SEA)

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