UCSF

ZINC01329628

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 3.74 -6.67 -17.58 2 8 0 114 446.554 8
Hi High (pH 8-9.5) 3.74 -6.09 -41.46 1 8 -1 116 445.546 8

Activity (Go SEA)

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