UCSF

ZINC37117176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.25 0.97 -38.22 3 5 1 58 256.37 5
Hi High (pH 8-9.5) 0.25 -0.41 -8.21 2 5 0 54 255.362 5
Mid Mid (pH 6-8) 0.25 3.25 -89.28 4 5 2 59 257.378 5

Activity (Go SEA)

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