UCSF

ZINC49478171

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 15 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) 1.25 4.66 -83.48 4 3 2 33 215.385 7
Hi High (pH 8-9.5) 1.25 2.73 -37.89 3 3 1 32 214.377 7
Mid Mid (pH 6-8) 1.25 4.56 -103.5 4 3 2 33 215.385 7
Lo Low (pH 4.5-6) 1.25 5.99 -194.25 5 3 3 38 216.393 7

Activity (Go SEA)

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