UCSF

ZINC21581436

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 0.87 5.02 -18.28 2 10 0 113 432.477 7
Lo Low (pH 4.5-6) 0.87 6.95 -53.31 3 10 1 115 433.485 7

Activity (Go SEA)

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