UCSF

ZINC09691295

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 29 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) 3.55 8.62 -46.84 2 6 1 71 436.985 8
Hi High (pH 8-9.5) 3.55 6.52 -16.64 1 6 0 70 435.977 8

Activity (Go SEA)

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