UCSF

ZINC06721267

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 30 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) 6.41 -2.11 -11.51 2 5 0 79 426.582 5
Hi High (pH 8-9.5) 6.41 -1.53 -47.51 1 5 -1 81 425.574 5

Activity (Go SEA)

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