UCSF

ZINC37819659

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.11 1.36 -53.3 3 6 1 85 292.425 6
Hi High (pH 8-9.5) 0.11 1.02 -13.58 2 6 0 84 291.417 6

Activity (Go SEA)

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