UCSF

ZINC40346741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 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) -2.03 -2.13 -16.6 3 9 0 116 316.387 4
Mid Mid (pH 6-8) -2.03 0 -51.98 4 9 1 117 317.395 4

Activity (Go SEA)

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