UCSF

ZINC36867608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) -1.72 -1.99 -50.94 5 7 1 109 212.233 1
Mid Mid (pH 6-8) -1.26 -3.68 -67 4 7 0 113 211.225 1

Activity (Go SEA)

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