UCSF

ZINC24989508

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 25 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) 0.68 -1.67 -22.52 4 8 0 135 387.414 5
Mid Mid (pH 6-8) 0.68 -1.6 -57.84 3 8 -1 138 386.406 5

Activity (Go SEA)

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