UCSF

ZINC40663044

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) -2.73 -5.31 -25.3 4 9 0 133 267.245 2
Mid Mid (pH 6-8) -2.73 -4.32 -54.08 5 9 1 135 268.253 2
Mid Mid (pH 6-8) -2.41 -6.51 -64.86 3 9 -1 137 266.237 2
Mid Mid (pH 6-8) -2.41 -5.49 -60.32 4 9 0 139 267.245 2

Activity (Go SEA)

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