UCSF

ZINC01426795

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 26 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) 3.88 -1.87 -12.14 1 4 0 54 341.414 3
Lo Low (pH 4.5-6) 3.88 -1.82 -39.28 2 4 1 56 342.422 3

Activity (Go SEA)

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