UCSF

ZINC60165709

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 14 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) 2.74 7.97 -49.33 0 2 -1 26 209.29 4
Mid Mid (pH 6-8) 2.74 7.43 -5.7 0 2 0 26 210.298 4

Activity (Go SEA)

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