UCSF

ZINC42592603

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 23 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) 1.18 4.43 -46.67 2 6 1 57 339.485 7
Hi High (pH 8-9.5) 1.18 2.15 -16.51 1 6 0 56 338.477 7

Activity (Go SEA)

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