UCSF

ZINC37403646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 3.93 10.7 -39.24 1 4 1 50 283.779 3
Hi High (pH 8-9.5) 3.93 8.45 -3.89 0 4 0 49 282.771 3

Activity (Go SEA)

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