UCSF

ZINC21739465

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 2.30 6.94 -16.73 1 10 0 125 450.546 8
Hi High (pH 8-9.5) 2.76 5.94 -40.81 0 10 -1 128 449.538 8

Activity (Go SEA)

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