UCSF

ZINC36331718

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) -0.32 -0.94 -78.31 2 5 1 85 282.407 2
Hi High (pH 8-9.5) -0.32 -1.97 -22.11 1 5 0 80 281.399 2

Activity (Go SEA)

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