UCSF

ZINC51719488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 18 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) 3.46 6.13 -46.13 3 2 1 31 269.478 6
Hi High (pH 8-9.5) 3.46 5.94 -2.04 2 2 0 29 268.47 6
Mid Mid (pH 6-8) 3.46 7.93 -25.9 3 2 1 30 269.478 6

Activity (Go SEA)

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