UCSF

ZINC38003330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 3.42 6.79 -35.07 2 2 1 16 304.277 4
Mid Mid (pH 6-8) 3.42 7.95 -103.83 3 2 2 21 305.285 4
Mid Mid (pH 6-8) 3.42 5.39 -41.66 2 2 1 20 304.277 4

Activity (Go SEA)

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