UCSF

ZINC37041603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.25 -2.69 -53.85 6 6 1 117 323.192 3
Hi High (pH 8-9.5) -0.25 -3.02 -12.17 5 6 0 115 322.184 3

Activity (Go SEA)

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