UCSF

ZINC32153923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 1.84 3.13 -51.42 3 4 1 49 293.431 6
Hi High (pH 8-9.5) 1.84 2 -6.89 2 4 0 45 292.423 6
Lo Low (pH 4.5-6) 1.84 4.32 -42.98 3 4 1 46 293.431 6

Activity (Go SEA)

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