UCSF

ZINC01210636

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 30 No

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) 4.83 8.1 -24.18 2 8 0 117 421.434 5
Hi High (pH 8-9.5) 4.90 6.41 -50.09 1 8 -1 124 420.426 5
Hi High (pH 8-9.5) 4.83 8.72 -55.56 1 8 -1 120 420.426 5

Activity (Go SEA)

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