UCSF

ZINC49938062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 19 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) 1.94 7.12 -42.13 2 4 1 34 261.393 7
Hi High (pH 8-9.5) 1.94 4.79 -8.82 1 4 0 33 260.385 7
Mid Mid (pH 6-8) 1.94 7.61 -81.35 3 4 2 36 262.401 7
Mid Mid (pH 6-8) 1.94 8.48 -123.53 3 4 2 39 262.401 7

Activity (Go SEA)

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