UCSF

ZINC22130237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 2.97 7.84 -62.05 1 3 -1 56 256.325 3
Lo Low (pH 4.5-6) 2.97 6.7 -10.84 2 3 0 53 257.333 3

Activity (Go SEA)

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