UCSF

ZINC19483837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 1.51 3.2 -46.4 0 5 -1 78 275.309 4
Mid Mid (pH 6-8) 1.51 3.13 -14.65 1 5 0 76 276.317 4
Lo Low (pH 4.5-6) 1.51 3.64 -46.72 1 5 0 79 276.317 4

Activity (Go SEA)

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