UCSF

ZINC35894859

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 31 No

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) 3.10 10.42 -48.46 2 8 1 92 429.541 5
Mid Mid (pH 6-8) 3.10 8.21 -11.43 1 8 0 91 428.533 5

Activity (Go SEA)

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