UCSF

ZINC31961273

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.24 4.41 -98.26 6 5 2 83 316.449 5
Mid Mid (pH 6-8) 2.24 3.95 -54.37 5 5 1 82 315.441 5

Activity (Go SEA)

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