UCSF

ZINC42766594

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 0.76 3.5 -8.4 3 5 0 75 262.235 5
Lo Low (pH 4.5-6) 0.76 3.8 -36.4 4 5 1 76 263.243 5

Activity (Go SEA)

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