UCSF

ZINC17408128

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2008 11 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) 1.59 3.24 -107.84 5 2 2 44 160.305 4
Hi High (pH 8-9.5) 1.59 2.75 -30.35 4 2 1 43 159.297 4

Activity (Go SEA)

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