UCSF

ZINC45328824

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 16 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) 0.75 4.67 -10.35 1 5 0 72 218.212 4
Mid Mid (pH 6-8) 0.75 5.13 -35.04 2 5 1 73 219.22 4

Activity (Go SEA)

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