UCSF

ZINC42581841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.50 8.17 -31.67 3 2 1 30 259.417 4
Hi High (pH 8-9.5) 1.50 6.57 -1.31 2 2 0 29 258.409 4
Mid Mid (pH 6-8) 1.50 8.47 -119.51 4 2 2 32 260.425 4

Activity (Go SEA)

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