UCSF

ZINC19485685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 0.82 0.69 -72.12 3 5 0 89 263.322 4
Mid Mid (pH 6-8) 0.82 0.62 -57.93 4 5 1 87 264.33 4
Lo Low (pH 4.5-6) 0.82 1.12 -85.91 4 5 1 90 264.33 4

Activity (Go SEA)

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