UCSF

ZINC41572563

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 2.20 5.41 -45.6 0 5 -1 74 330.414 5
Mid Mid (pH 6-8) 2.20 5.18 -13.94 1 5 0 72 331.422 5

Activity (Go SEA)

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