UCSF

ZINC36614808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 29 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) 2.86 6.08 -13.75 0 6 0 58 420.485 5
Mid Mid (pH 6-8) 2.86 8.29 -57.51 1 6 1 60 421.493 5

Activity (Go SEA)

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