UCSF

ZINC27849554

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 34 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) 4.76 8.95 -51.92 4 6 1 94 486.702 10
Hi High (pH 8-9.5) 4.76 8.54 -14.78 3 6 0 93 485.694 10

Activity (Go SEA)

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