UCSF

ZINC25769003

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 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) 3.10 6.35 -24.49 2 8 0 107 457.533 5
Mid Mid (pH 6-8) 3.10 6.42 -58.28 1 8 -1 109 456.525 5

Activity (Go SEA)

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