UCSF

ZINC24887366

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 25 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) 3.15 6.59 -17.87 3 6 0 86 329.363 4
Mid Mid (pH 6-8) 3.15 6.54 -12.38 3 6 0 86 329.363 4
Mid Mid (pH 6-8) 3.15 6.53 -17.3 3 6 0 86 329.363 4
Mid Mid (pH 6-8) 3.15 6.48 -11.24 3 6 0 86 329.363 4

Activity (Go SEA)

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