UCSF

ZINC36202807

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.40 -2.9 -38.42 2 7 -1 109 252.25 2
Mid Mid (pH 6-8) -0.86 -2.03 -11.05 3 7 0 106 253.258 2

Activity (Go SEA)

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