UCSF

ZINC39952581

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 21 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) 3.14 9.13 -130.98 3 4 2 47 292.423 7
Hi High (pH 8-9.5) 3.14 5.66 -5.68 1 4 0 42 290.407 7
Mid Mid (pH 6-8) 3.14 7.02 -46.14 2 4 1 46 291.415 7

Activity (Go SEA)

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