UCSF

ZINC23371059

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 22 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) 4.57 8.48 -8.92 0 4 0 33 332.395 3
Lo Low (pH 4.5-6) 4.57 8.88 -25.83 1 4 1 35 333.403 3

Activity (Go SEA)

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