UCSF

ZINC32232841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 2.90 7.03 -40.33 3 4 1 46 315.437 7
Mid Mid (pH 6-8) 2.90 4.82 -6.25 2 4 0 45 314.429 7
Mid Mid (pH 6-8) 2.90 6.14 -48.55 3 4 1 49 315.437 7
Lo Low (pH 4.5-6) 2.90 8.34 -130.46 4 4 2 51 316.445 7

Activity (Go SEA)

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