UCSF

ZINC12998442

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 19 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) 3.05 4.37 -11.39 1 4 0 50 263.337 2
Hi High (pH 8-9.5) 3.05 5.19 -55.83 0 4 -1 53 262.329 2

Activity (Go SEA)

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