UCSF

ZINC05376810

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 25 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) 5.37 9.17 -7.81 1 4 0 50 385.798 3
Hi High (pH 8-9.5) 5.82 7.43 -40.99 0 4 -1 53 384.79 3

Activity (Go SEA)

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