UCSF

ZINC12231874

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 28 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) 0.82 3.33 -13.83 0 11 0 115 390.4 7
Mid Mid (pH 6-8) 0.82 3.49 -36.53 1 11 1 116 391.408 7

Activity (Go SEA)

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