UCSF

ZINC41066911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 20 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) 2.49 3.8 -41.93 2 5 1 63 383.719 4
Mid Mid (pH 6-8) 2.49 3.67 -35.98 1 5 0 66 382.711 4

Activity (Go SEA)

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