UCSF

ZINC33986566

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 10 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) 1.65 3.06 -4.43 0 3 0 33 140.186 1
Lo Low (pH 4.5-6) 1.65 3.94 -11.26 1 3 0 34 141.194 1

Activity (Go SEA)

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