UCSF

ZINC40188810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.18 9.34 -15.65 1 6 0 67 370.497 6
Mid Mid (pH 6-8) 3.18 9.7 -33.74 2 6 1 68 371.505 6

Activity (Go SEA)

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