UCSF

ZINC43248982

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 1.47 5.87 -48.69 3 4 1 51 310.487 4
Hi High (pH 8-9.5) 1.47 5.55 -8.68 2 4 0 50 309.479 4
Mid Mid (pH 6-8) 1.47 7.3 -41.68 3 4 1 51 310.487 4
Lo Low (pH 4.5-6) 1.47 7.61 -129.17 4 4 2 52 311.495 4

Activity (Go SEA)

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