UCSF

ZINC43639881

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 17 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) 5.16 9.05 -36.21 2 1 1 17 307.291 4
Mid Mid (pH 6-8) 5.16 7.78 -2.04 1 1 0 12 306.283 4

Activity (Go SEA)

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