UCSF

ZINC02487972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 26 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) 3.47 10.31 -15.94 1 5 0 63 346.434 5
Mid Mid (pH 6-8) 3.47 11.68 -29.63 3 5 1 68 347.442 5
Mid Mid (pH 6-8) 3.47 10.78 -28.88 2 5 1 65 347.442 5
Lo Low (pH 4.5-6) 3.47 10.63 -34.55 2 5 1 65 347.442 5

Activity (Go SEA)

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