UCSF

ZINC55551706

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 32 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) 4.06 11.43 -23.62 1 6 0 59 426.52 6
Mid Mid (pH 6-8) 4.06 11.86 -34.58 2 6 1 61 427.528 6

Activity (Go SEA)

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