UCSF

ZINC32070085

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 22 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) -1.55 -0.73 -56.8 4 7 1 90 313.422 6
Mid Mid (pH 6-8) -1.55 1.62 -100.78 5 7 2 91 314.43 6

Activity (Go SEA)

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