UCSF

ZINC38242206

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 21 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) 3.43 7.51 -13.83 1 6 0 96 283.239 2
Hi High (pH 8-9.5) 3.43 8.49 -54.82 0 6 -1 99 282.231 2

Activity (Go SEA)

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