UCSF

ZINC12419241

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 24 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) 0.09 -6.05 -21.57 5 8 0 130 348.384 5
Lo Low (pH 4.5-6) 0.09 1.7 -51.96 6 8 1 131 349.392 5

Activity (Go SEA)

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