UCSF

ZINC19855382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 3.97 9.06 -12.84 1 5 0 50 362.477 5
Mid Mid (pH 6-8) 3.97 11.37 -53.49 2 5 1 51 363.485 5
Mid Mid (pH 6-8) 3.97 9.46 -34.89 2 5 1 51 363.485 5
Lo Low (pH 4.5-6) 3.97 11.77 -117.12 3 5 2 53 364.493 5

Activity (Go SEA)

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