UCSF

ZINC09161194

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 37 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) 5.70 15.01 -16.17 0 7 0 82 498.579 8
Lo Low (pH 4.5-6) 5.70 3.23 -34.18 1 7 1 83 499.587 8

Activity (Go SEA)

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