UCSF

ZINC42592423

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 25 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) 1.81 5.35 -45.82 2 6 1 59 346.451 7
Hi High (pH 8-9.5) 1.81 3.07 -14.52 1 6 0 58 345.443 7

Activity (Go SEA)

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