UCSF

ZINC36617174

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 21 No

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) 2.13 6.42 -13.61 1 6 0 88 322.367 3
Mid Mid (pH 6-8) 2.13 7.19 -28.35 0 6 -1 91 321.359 3

Activity (Go SEA)

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