UCSF

ZINC36732538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 2.09 5.02 -27.57 3 3 1 43 226.369 2
Hi High (pH 8-9.5) 2.09 2.94 -5.01 2 3 0 42 225.361 2

Activity (Go SEA)

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