UCSF

ZINC43915401

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 2.80 6.99 -114.85 3 3 2 30 266.429 8
Hi High (pH 8-9.5) 2.80 6.69 -36.27 2 3 1 29 265.421 8
Hi High (pH 8-9.5) 2.80 5.64 -2.01 1 3 0 24 264.413 8
Mid Mid (pH 6-8) 2.80 7.9 -29.61 2 3 1 26 265.421 8

Activity (Go SEA)

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