UCSF

ZINC08821155

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 22 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) 6.24 8.97 -7.46 1 3 0 45 438.144 2
Hi High (pH 8-9.5) 6.69 6.97 -43.83 0 3 -1 48 437.136 2

Activity (Go SEA)

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