UCSF

ZINC10009762

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 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) 2.36 -7.9 -20.69 4 7 0 118 401.469 6
Hi High (pH 8-9.5) 2.36 -7.32 -49.14 3 7 -1 120 400.461 6

Activity (Go SEA)

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