UCSF

ZINC32210033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) -0.06 0.62 -55.28 3 6 1 68 309.386 6
Hi High (pH 8-9.5) -0.06 -0.77 -9.68 2 6 0 63 308.378 6
Lo Low (pH 4.5-6) -0.06 1.56 -44.53 3 6 1 64 309.386 6

Activity (Go SEA)

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