UCSF

ZINC12231634

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 27 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) 2.08 2.75 -10.11 0 9 0 89 374.445 6
Mid Mid (pH 6-8) 2.08 2.91 -31.1 1 9 1 90 375.453 6

Activity (Go SEA)

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