UCSF

ZINC55663993

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 26 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) 2.90 5.98 -16.1 1 6 0 76 374.462 4
Hi High (pH 8-9.5) 2.90 6.02 -58.83 0 6 -1 78 373.454 4

Activity (Go SEA)

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