UCSF

ZINC62955268

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 3.67 8.55 -34.7 1 2 1 17 287.88 4
Mid Mid (pH 6-8) 3.67 6.32 -4.13 0 2 0 16 286.872 4

Activity (Go SEA)

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