UCSF

ZINC22992264

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 31 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) 2.80 8.96 -32.81 2 8 0 102 434.525 3
Hi High (pH 8-9.5) 2.87 8.02 -69.09 1 8 -1 108 433.517 3

Activity (Go SEA)

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