UCSF

ZINC37080471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.49 5.31 -42.37 4 5 1 72 277.373 4
Mid Mid (pH 6-8) 1.31 4.5 -38.79 3 5 0 79 276.365 4

Activity (Go SEA)

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