UCSF

ZINC44677373

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.62 8.67 -39.1 1 2 1 22 216.304 2
Mid Mid (pH 6-8) 1.62 7.24 -4.89 0 2 0 20 215.296 2

Activity (Go SEA)

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