UCSF

ZINC45694705

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 0.50 3.23 -51.34 1 5 -1 78 214.241 6
Lo Low (pH 4.5-6) 0.50 1.28 -13.47 2 5 0 76 215.249 6

Activity (Go SEA)

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