UCSF

ZINC19884413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 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) 1.55 9.05 -74.79 1 6 0 78 383.423 7
Lo Low (pH 4.5-6) 1.55 8.23 -55.5 2 6 1 75 384.431 7

Activity (Go SEA)

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