UCSF

ZINC21163546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 4.31 13.88 -14.94 1 6 0 73 439.61 10
Hi High (pH 8-9.5) 4.50 12.81 -46.43 0 6 -1 79 438.602 10

Activity (Go SEA)

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