UCSF

ZINC19434852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 18 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) 1.90 6.19 -113.65 4 3 2 35 255.45 4
Mid Mid (pH 6-8) 1.90 3.89 -43.22 3 3 1 34 254.442 4
Mid Mid (pH 6-8) 1.90 5.42 -115.78 4 3 2 35 255.45 4

Activity (Go SEA)

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