UCSF

ZINC38098291

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 18 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) 1.60 4.25 -101.5 5 4 2 61 255.406 3
Mid Mid (pH 6-8) 1.60 3.98 -38.11 4 4 1 60 254.398 3

Activity (Go SEA)

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