UCSF

ZINC42458664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.17 5.51 -117.12 4 4 2 54 254.374 7
Hi High (pH 8-9.5) 1.17 3.18 -3.36 2 4 0 52 252.358 7
Hi High (pH 8-9.5) 1.17 3.52 -41.91 3 4 1 53 253.366 7
Mid Mid (pH 6-8) 1.17 5.13 -27.99 3 4 1 53 253.366 7

Activity (Go SEA)

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