UCSF

ZINC21687082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 1.28 4.57 -8.8 0 4 0 36 267.398 4
Lo Low (pH 4.5-6) 1.28 6.84 -44.58 1 4 1 38 268.406 4

Activity (Go SEA)

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