UCSF

ZINC36890081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 1.93 3.54 -43.72 0 4 -1 59 235.259 6
Mid Mid (pH 6-8) 1.19 6.34 -18.7 0 4 0 53 236.267 7

Activity (Go SEA)

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