UCSF

ZINC37141639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 3.65 6.76 -41.37 2 2 1 20 293.397 4
Mid Mid (pH 6-8) 3.65 7.97 -33.26 2 2 1 16 293.397 4
Lo Low (pH 4.5-6) 3.65 8.97 -108.94 3 2 2 21 294.405 4

Activity (Go SEA)

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