UCSF

ZINC06691015

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 28 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) 2.94 3.89 -10.83 3 7 0 106 374.4 4
Lo Low (pH 4.5-6) 2.94 4.19 -53.55 4 7 1 108 375.408 4

Activity (Go SEA)

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