UCSF

ZINC37053137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.72 3.04 -6.49 2 5 0 67 352.287 4
Mid Mid (pH 6-8) 2.72 5.26 -43.93 3 5 1 68 353.295 4

Activity (Go SEA)

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