UCSF

ZINC36882009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 2.79 4.28 -43.33 0 3 -1 48 285.147 5
Mid Mid (pH 6-8) 2.79 4.09 -10.51 1 3 0 46 286.155 5

Activity (Go SEA)

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