UCSF

ZINC37413827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 0.93 2.67 -48.17 1 7 -1 105 365.181 5
Mid Mid (pH 6-8) 0.93 2.75 -102 0 7 -2 107 364.173 5

Activity (Go SEA)

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