UCSF

ZINC37049442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.63 1.15 -116.06 5 6 2 68 285.436 7
Hi High (pH 8-9.5) -0.63 -0.96 -10.57 3 6 0 65 283.42 7
Hi High (pH 8-9.5) -0.63 -0.59 -49.79 4 6 1 66 284.428 7
Mid Mid (pH 6-8) -0.63 1.68 -99.29 5 6 2 68 285.436 7

Activity (Go SEA)

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