UCSF

ZINC37870593

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) -1.40 -1.18 -11.32 4 5 0 88 287.113 2
Mid Mid (pH 6-8) -1.40 -0.86 -49.99 5 5 1 89 288.121 2

Activity (Go SEA)

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