UCSF

ZINC36671337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.11 7.67 -33.54 1 3 1 31 214.329 5
Hi High (pH 8-9.5) 2.11 5.62 -3.85 0 3 0 30 213.321 5

Activity (Go SEA)

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