UCSF

ZINC36881942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 No

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) 1.36 2.65 -10.95 0 4 0 41 268.81 6
Mid Mid (pH 6-8) 1.36 4.86 -46.64 1 4 1 42 269.818 6

Activity (Go SEA)

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