UCSF

ZINC19634664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 2.77 10.12 -82.36 2 3 2 12 293.499 10
Hi High (pH 8-9.5) 2.77 7.38 -37.87 1 3 1 11 292.491 10
Mid Mid (pH 6-8) 2.77 9.91 -108.24 2 3 2 12 293.499 10

Activity (Go SEA)

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