UCSF

ZINC37797124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) -0.36 0.28 -42.41 3 4 1 59 217.314 7
Mid Mid (pH 6-8) -0.36 -1.14 -8.52 2 4 0 54 216.306 7

Activity (Go SEA)

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