UCSF

ZINC46009243

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 31 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) 2.06 3.07 -47.24 4 10 -1 155 415.389 3
Hi High (pH 8-9.5) 2.06 3.19 -51.1 4 10 -1 155 415.389 3
Mid Mid (pH 6-8) 2.52 1.17 -99.19 3 10 -2 158 414.381 3
Mid Mid (pH 6-8) 1.60 5.08 -16.36 5 10 0 152 416.397 3

Activity (Go SEA)

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