UCSF

ZINC41834941

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 23 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) 2.03 5.22 -15.19 1 5 0 53 356.253 4
Mid Mid (pH 6-8) 2.03 7.36 -46.83 2 5 1 54 357.261 4

Activity (Go SEA)

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