UCSF

ZINC04981238

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 21 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) 3.85 10.15 -33.67 1 3 1 17 289.443 3
Mid Mid (pH 6-8) 3.85 7.82 -3.26 0 3 0 16 288.435 3

Activity (Go SEA)

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