UCSF

ZINC45691988

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.09 7.77 -35 2 4 1 34 265.425 6
Mid Mid (pH 6-8) 1.09 7.89 -112.23 3 4 2 39 266.433 6
Mid Mid (pH 6-8) 1.09 6.95 -33.8 2 4 1 38 265.425 6
Lo Low (pH 4.5-6) 1.09 7.9 -78 3 4 2 36 266.433 6

Activity (Go SEA)

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