UCSF

ZINC09853500

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2007 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) 2.02 -8.99 -21.17 2 8 0 112 465.597 6
Hi High (pH 8-9.5) 2.02 -8.52 -51.85 1 8 -1 114 464.589 6

Activity (Go SEA)

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