UCSF

ZINC21806476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 No

Other Names:

MFCD12549538

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) 1.36 1.39 -14.68 4 6 0 97 282.3 4
Mid Mid (pH 6-8) 1.36 1.96 -40.51 4 6 0 100 282.3 4
Mid Mid (pH 6-8) 1.36 1.46 -43.69 3 6 -1 99 281.292 4

Activity (Go SEA)

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