UCSF

ZINC59838333

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 32 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) 5.61 12.69 -28.53 2 4 1 37 429.584 6
Hi High (pH 8-9.5) 5.61 10.58 -4.49 1 4 0 36 428.576 6

Activity (Go SEA)

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