UCSF

ZINC43379921

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 26 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) -0.79 -1.64 -14.78 3 9 0 139 362.338 3
Mid Mid (pH 6-8) -0.33 -4.14 -53.33 2 9 -1 142 361.33 3

Activity (Go SEA)

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