UCSF

ZINC16701506

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 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) 4.19 5.99 -20.31 1 7 0 101 450.582 5
Hi High (pH 8-9.5) 4.19 6.09 -56.71 0 7 -1 103 449.574 5

Activity (Go SEA)

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