UCSF

ZINC21929873

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.67 7.6 -41.61 2 7 1 63 290.395 4
Mid Mid (pH 6-8) 1.67 5.28 -10.31 1 7 0 62 289.387 4

Activity (Go SEA)

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