UCSF

ZINC20358022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 15 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) 2.43 6.8 -42.81 0 2 -1 40 266.114 1
Mid Mid (pH 6-8) 2.43 6.94 -43.09 0 2 -1 40 266.114 1
Mid Mid (pH 6-8) 2.43 5.07 -9.89 1 2 0 37 267.122 1
Mid Mid (pH 6-8) 2.43 5.07 -9.9 1 2 0 37 267.122 1

Activity (Go SEA)

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