UCSF

ZINC43261604

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 2.21 3.34 -33.75 4 3 1 51 322.292 7
Hi High (pH 8-9.5) 2.21 1.68 -2.25 3 3 0 49 321.284 7
Mid Mid (pH 6-8) 2.21 1.95 -37.51 4 3 1 51 322.292 7
Lo Low (pH 4.5-6) 2.21 3.63 -125.28 5 3 2 52 323.3 7

Activity (Go SEA)

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