UCSF

ZINC42388421

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.13 5.13 -52.47 0 5 -1 59 262.333 3
Hi High (pH 8-9.5) 1.13 5.02 -63.53 2 5 1 62 264.349 3
Hi High (pH 8-9.5) 1.13 5.99 -43.64 2 5 1 58 264.349 3
Mid Mid (pH 6-8) 1.13 7 -75.87 1 5 0 61 263.341 3
Lo Low (pH 4.5-6) 1.13 4.24 -88.23 3 5 2 59 265.357 3

Activity (Go SEA)

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