UCSF

ZINC36891021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 2.35 8.4 -52.37 1 3 1 22 256.732 4
Hi High (pH 8-9.5) 2.35 5.92 -7.44 0 3 0 21 255.724 4

Activity (Go SEA)

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