UCSF

ZINC43401206

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) -0.50 2.32 -34.57 4 6 1 86 267.353 8
Mid Mid (pH 6-8) -0.50 2.45 -5.47 3 6 0 84 266.345 8
Lo Low (pH 4.5-6) -0.50 2.74 -89.09 5 6 2 87 268.361 8

Activity (Go SEA)

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