UCSF

ZINC37039250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 Yes

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) 0.49 4.19 -101.81 4 6 2 73 322.519 9
Hi High (pH 8-9.5) 0.49 2.17 -48.91 3 6 1 71 321.511 9

Activity (Go SEA)

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