UCSF

ZINC42461048

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.12 4.38 -49.73 1 5 1 52 239.343 4
Mid Mid (pH 6-8) 0.12 2.4 -9.81 0 5 0 51 238.335 4
Mid Mid (pH 6-8) 0.12 4.76 -46.97 1 5 1 52 239.343 4
Mid Mid (pH 6-8) 0.12 6.73 -106.85 2 5 2 53 240.351 4

Activity (Go SEA)

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