UCSF

ZINC38282885

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 38 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) 2.00 8.88 -62.68 0 10 -1 118 513.53 8
Lo Low (pH 4.5-6) 2.00 8.12 -20.65 1 10 0 116 514.538 8

Activity (Go SEA)

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