UCSF

ZINC37142750

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) 1.50 6.88 -39.66 2 4 1 37 280.436 4
Mid Mid (pH 6-8) 1.50 5.65 -47.5 2 4 1 40 280.436 4
Lo Low (pH 4.5-6) 1.50 7.89 -116.85 3 4 2 41 281.444 4

Activity (Go SEA)

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