UCSF

ZINC42450474

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.57 1.05 -51.86 3 4 1 53 250.366 4
Hi High (pH 8-9.5) 0.57 0.64 -4.95 2 4 0 51 249.358 4
Lo Low (pH 4.5-6) 0.57 1.56 -104.64 4 4 2 54 251.374 4

Activity (Go SEA)

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