UCSF

ZINC37853111

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -1.01 -2.07 -42.14 4 5 1 76 222.305 10
Hi High (pH 8-9.5) -1.01 -3.48 -8.12 3 5 0 71 221.297 10

Activity (Go SEA)

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