UCSF

ZINC22026428

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 15 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) -1.88 -1.48 -108.09 6 5 2 74 216.329 0
Mid Mid (pH 6-8) -1.88 -2.67 -40.33 5 5 1 70 215.321 0
Lo Low (pH 4.5-6) -1.88 -1.19 -98.53 6 5 2 74 216.329 0

Activity (Go SEA)

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