UCSF

ZINC42945874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 2.33 6.42 -118.42 4 3 2 41 272.82 7
Mid Mid (pH 6-8) 2.33 4.93 -44.71 3 3 1 40 271.812 7
Mid Mid (pH 6-8) 2.33 6.11 -35.51 3 3 1 40 271.812 7

Activity (Go SEA)

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