UCSF

ZINC37095873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.57 3.3 -26.75 3 3 1 34 254.442 5
Hi High (pH 8-9.5) 1.57 3.96 -31.61 3 3 1 34 254.442 5
Mid Mid (pH 6-8) 1.57 5.65 -89.16 4 3 2 35 255.45 5
Mid Mid (pH 6-8) 1.57 4.22 -99.87 4 3 2 35 255.45 5

Activity (Go SEA)

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