UCSF

ZINC65393769

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2011 24 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) 2.00 6.99 -51.49 4 5 1 78 342.492 7
Hi High (pH 8-9.5) 2.00 6.59 -11.12 3 5 0 77 341.484 7
Lo Low (pH 4.5-6) 2.00 7.44 -91.96 5 5 2 80 343.5 7

Activity (Go SEA)

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