UCSF

ZINC41475654

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 16 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) 0.58 7.61 -7.13 0 4 0 44 214.203 1
Mid Mid (pH 6-8) 0.58 8.47 -34.69 1 4 1 45 215.211 1

Activity (Go SEA)

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