UCSF

ZINC44608995

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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
Hi High (pH 8-9.5) 0.15 1.14 -47.01 3 4 1 47 281.449 4
Hi High (pH 8-9.5) 0.15 3.48 -39.84 3 4 1 47 281.449 4
Mid Mid (pH 6-8) 0.15 5.38 -99.2 4 4 2 48 282.457 4
Mid Mid (pH 6-8) 0.15 3.57 -116.36 4 4 2 48 282.457 4

Activity (Go SEA)

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