UCSF

ZINC44725585

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 1.51 4.89 -30.56 2 4 1 35 259.414 9
Hi High (pH 8-9.5) 1.51 3.94 -37.58 2 4 1 38 259.414 9
Mid Mid (pH 6-8) 1.51 6.09 -98.95 3 4 2 40 260.422 9

Activity (Go SEA)

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