UCSF

ZINC32022593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.01 3.3 -50.96 3 5 1 66 254.354 4
Mid Mid (pH 6-8) 0.01 1.93 -9.83 2 5 0 61 253.346 4

Activity (Go SEA)

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