UCSF

ZINC09193101

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 31 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) 6.79 13.12 -9.81 0 4 0 42 446.645 3
Lo Low (pH 4.5-6) 6.79 13.4 -26.83 1 4 1 43 447.653 3

Activity (Go SEA)

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