UCSF

ZINC40466248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 37 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) 4.08 8.69 -52.52 2 9 -1 128 495.563 9
Lo Low (pH 4.5-6) 4.08 8.7 -18.29 3 9 0 130 496.571 9

Activity (Go SEA)

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