UCSF

ZINC42471321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.98 7.79 -119.7 4 2 2 32 254.443 7
Hi High (pH 8-9.5) 2.98 5.45 -33.75 3 2 1 31 253.435 7
Mid Mid (pH 6-8) 2.98 7.56 -32.59 3 2 1 30 253.435 7

Activity (Go SEA)

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