UCSF

ZINC43231875

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.13 1.58 -29.29 4 5 1 69 253.37 6
Hi High (pH 8-9.5) -0.13 -0.42 -7.3 3 5 0 67 252.362 6
Mid Mid (pH 6-8) -0.13 -0.1 -52.73 4 5 1 69 253.37 6
Lo Low (pH 4.5-6) -0.13 1.64 -114.57 5 5 2 70 254.378 6

Activity (Go SEA)

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