UCSF

ZINC04270312

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 0.19 -5.94 -20.94 3 9 0 138 325.302 5
Hi High (pH 8-9.5) 0.19 -5.36 -45.87 2 9 -1 140 324.294 5

Activity (Go SEA)

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