UCSF

ZINC21812446

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 0.61 -2.5 -47.29 3 7 -1 120 271.303 3
Lo Low (pH 4.5-6) 0.61 -2.58 -20.13 4 7 0 118 272.311 3

Activity (Go SEA)

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