UCSF

ZINC53115080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.35 1.82 -6.58 4 5 0 76 252.362 3
Mid Mid (pH 6-8) 1.35 1.94 -26.21 5 5 1 77 253.37 3

Activity (Go SEA)

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