UCSF

ZINC22210601

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 1.15 2.15 -54.3 1 5 -1 86 236.313 9
Lo Low (pH 4.5-6) 1.15 1.03 -16.97 2 5 0 83 237.321 9

Activity (Go SEA)

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