UCSF

ZINC35721440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) 1.79 4.22 -58.17 1 6 -1 91 279.316 7
Lo Low (pH 4.5-6) 1.79 1.87 -8.6 2 6 0 89 280.324 7

Activity (Go SEA)

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