UCSF

ZINC04295871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 18 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) 0.69 3.47 -14.73 1 5 0 59 248.282 3
Ref Reference (pH 7) 0.69 3.48 -14.62 1 5 0 59 248.282 3

Activity (Go SEA)

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