UCSF

ZINC19855399

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 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) 3.54 9.13 -25.14 1 6 0 59 378.476 7
Mid Mid (pH 6-8) 3.54 11.39 -62.45 2 6 1 61 379.484 7
Mid Mid (pH 6-8) 3.54 9.54 -36.15 2 6 1 61 379.484 7
Lo Low (pH 4.5-6) 3.54 11.8 -114.66 3 6 2 62 380.492 7

Activity (Go SEA)

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