UCSF

ZINC58827052

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 12 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) 0.11 3.47 -51.49 2 3 1 37 191.682 3
Mid Mid (pH 6-8) 0.11 2.14 -9.8 1 3 0 32 190.674 3

Activity (Go SEA)

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