UCSF

ZINC42915534

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.03 3.28 -117.58 5 3 2 52 254.349 6
Mid Mid (pH 6-8) 1.03 2.02 -38.07 4 3 1 51 253.341 6
Mid Mid (pH 6-8) 1.03 4.12 -30.01 4 3 1 51 253.341 6

Activity (Go SEA)

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