UCSF

ZINC36998800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) -0.02 1.73 -91.62 5 4 2 56 251.374 4
Hi High (pH 8-9.5) -0.02 -0.64 -43.4 4 4 1 54 250.366 4
Hi High (pH 8-9.5) -0.02 -1.1 -3.47 3 4 0 53 249.358 4
Mid Mid (pH 6-8) -0.02 1.84 -42.83 4 4 1 58 250.366 4
Mid Mid (pH 6-8) -0.02 2.28 -57.17 4 4 1 58 250.366 4

Activity (Go SEA)

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