UCSF

ZINC32128603

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) 3.26 8.21 -49.28 3 2 1 31 283.439 8
Hi High (pH 8-9.5) 3.26 7.8 -3 2 2 0 29 282.431 8
Lo Low (pH 4.5-6) 3.26 10.41 -130.98 4 2 2 32 284.447 8

Activity (Go SEA)

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