UCSF

ZINC40950208

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 No

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) 3.02 6.07 -20.73 3 10 0 150 439.453 7
Hi High (pH 8-9.5) 3.20 4.42 -41.95 2 10 -1 156 438.445 7

Activity (Go SEA)

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