UCSF

ZINC25996179

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 29 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) 1.81 7.87 -22.01 1 8 0 97 421.429 5
Hi High (pH 8-9.5) 1.63 7.23 -60.2 0 8 -1 104 420.421 5

Activity (Go SEA)

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