UCSF

ZINC06352392

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 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) 2.85 -7.71 -16.01 2 7 0 105 406.485 7
Hi High (pH 8-9.5) 2.85 -7.13 -46.37 1 7 -1 107 405.477 7

Activity (Go SEA)

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