UCSF

ZINC19433322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 No

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) 1.89 5.9 -51.41 4 4 1 55 267.422 6
Lo Low (pH 4.5-6) 1.89 6.35 -107.65 5 4 2 57 268.43 6

Activity (Go SEA)

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