UCSF

ZINC16661849

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2008 27 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) 2.93 3.91 -20.64 1 7 0 101 408.501 4
Hi High (pH 8-9.5) 2.93 4 -56.44 0 7 -1 103 407.493 4

Activity (Go SEA)

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