UCSF

ZINC20745189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 25 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) 1.15 7.03 -25.95 1 7 0 93 333.351 3
Ref Reference (pH 7) 0.96 9.82 -23.85 1 7 0 90 333.351 3

Activity (Go SEA)

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