UCSF

ZINC03907152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 22 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) 1.15 7.29 -10.42 1 8 0 95 298.306 5
Lo Low (pH 4.5-6) 1.33 7.63 -32.65 2 8 1 100 299.314 5

Activity (Go SEA)

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