UCSF

ZINC20597152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 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) 2.45 6.06 -46.52 1 5 -1 82 289.698 4
Mid Mid (pH 6-8) 2.45 6.42 -55.14 2 5 0 83 290.706 4

Activity (Go SEA)

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