UCSF

ZINC39294843

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 1.05 13.58 -105.58 1 6 0 70 395.434 3
Mid Mid (pH 6-8) -1.69 11.64 -77.69 2 6 1 73 396.442 2
Mid Mid (pH 6-8) 1.05 11.23 -67.86 0 6 -1 69 394.426 3

Activity (Go SEA)

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