UCSF

ZINC34987024

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 2.75 8.44 -67.43 4 6 1 84 357.478 10
Hi High (pH 8-9.5) 2.75 9.67 -100.79 3 6 0 87 356.47 10
Lo Low (pH 4.5-6) 2.75 8.75 -120.34 5 6 2 85 358.486 10

Activity (Go SEA)

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