UCSF

ZINC41677802

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 1.20 7.46 -42.78 0 6 -1 70 277.329 6
Mid Mid (pH 6-8) 0.47 7.34 -11.08 1 6 0 73 278.337 6

Activity (Go SEA)

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