UCSF

ZINC03662267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 25 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) 3.83 -0.34 -11.41 1 3 0 28 367.905 7
Lo Low (pH 4.5-6) 3.83 -0.23 -46.62 2 3 1 29 368.913 7

Activity (Go SEA)

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