UCSF

ZINC43401175

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 1.78 6.58 -33.85 4 4 1 68 263.409 6
Mid Mid (pH 6-8) 1.78 7.16 -4.21 3 4 0 66 262.401 6
Lo Low (pH 4.5-6) 1.78 6.92 -88.61 5 4 2 69 264.417 6

Activity (Go SEA)

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