UCSF

ZINC36876714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.07 7.2 -52.13 4 6 1 102 289.359 7
Mid Mid (pH 6-8) 2.07 7.65 -99.38 5 6 2 103 290.367 7

Activity (Go SEA)

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