UCSF

ZINC37140989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 15 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) 2.08 6.77 -29.62 2 2 1 16 209.357 4
Mid Mid (pH 6-8) 2.08 5.56 -34.62 2 2 1 20 209.357 4
Lo Low (pH 4.5-6) 2.08 7.78 -98.65 3 2 2 21 210.365 4

Activity (Go SEA)

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