UCSF

ZINC08399426

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2006 30 No

Other Names:

MFCD00840358

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) 7.19 9.52 -24.47 3 7 0 103 481.435 14
Mid Mid (pH 6-8) 7.19 10.3 -69.2 2 7 -1 106 480.427 14

Activity (Go SEA)

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