UCSF

ZINC36479713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 31 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) 4.76 15.79 -50.41 1 4 1 30 420.621 5
Mid Mid (pH 6-8) 4.76 13.64 -9.06 0 4 0 28 419.613 5

Activity (Go SEA)

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