UCSF

ZINC19636196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 1.17 5.97 -80.37 2 3 2 12 215.385 5
Hi High (pH 8-9.5) 1.17 3.43 -33.17 1 3 1 11 214.377 5

Activity (Go SEA)

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