UCSF

ZINC19889823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 2.84 9.43 -88.05 2 3 2 12 354.336 3
Mid Mid (pH 6-8) 2.84 6.97 -41.18 1 3 1 11 353.328 3
Mid Mid (pH 6-8) 2.84 9.22 -108.77 2 3 2 12 354.336 3

Activity (Go SEA)

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