UCSF

ZINC19582208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 21 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) 1.10 7.19 -42.68 1 4 1 33 285.415 8
Mid Mid (pH 6-8) 1.10 6.74 -36.92 1 4 1 33 285.415 8
Mid Mid (pH 6-8) 1.10 7.71 -85.91 2 4 2 35 286.423 8

Activity (Go SEA)

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