UCSF

ZINC37818976

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.32 1.51 -45.35 5 5 1 91 244.359 8
Mid Mid (pH 6-8) 0.32 1.21 -15.19 4 5 0 89 243.351 8

Activity (Go SEA)

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