UCSF

ZINC43400884

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) 0.80 5.91 -38.35 4 4 1 68 273.385 2
Mid Mid (pH 6-8) 0.80 6.91 -7.82 3 4 0 66 272.377 2
Lo Low (pH 4.5-6) 0.80 6.33 -96.48 5 4 2 69 274.393 2

Activity (Go SEA)

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