UCSF

ZINC48666301

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 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) 3.66 6.03 -37.5 2 4 1 51 429.198 7
Hi High (pH 8-9.5) 3.66 3.94 -6.64 1 4 0 49 428.19 7

Activity (Go SEA)

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