UCSF

ZINC21715637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 4.36 11.62 -12.51 1 4 0 49 373.5 4
Lo Low (pH 4.5-6) 4.36 12.05 -43.06 2 4 1 50 374.508 4

Activity (Go SEA)

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