UCSF

ZINC36769710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 1.82 2.74 -1.7 2 3 0 38 226.364 2
Mid Mid (pH 6-8) 1.82 4.48 -123.65 4 3 2 41 228.38 2
Lo Low (pH 4.5-6) 1.82 4.96 -33.54 3 3 1 40 227.372 2

Activity (Go SEA)

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