UCSF

ZINC57814877

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 21 Yes

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) 3.70 6.23 -21.78 4 4 1 65 282.367 3
Hi High (pH 8-9.5) 3.70 5.77 -12.43 3 4 0 64 281.359 3
Mid Mid (pH 6-8) 3.70 7.86 -19.5 3 4 0 68 281.359 3

Activity (Go SEA)

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