UCSF

ZINC05821011

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 23 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) 3.66 4.17 -51.96 3 5 -1 101 329.457 15
Lo Low (pH 4.5-6) 3.66 3.05 -13.76 4 5 0 98 330.465 15

Activity (Go SEA)

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