UCSF

ZINC36197856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 Yes

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) 0.21 2.25 -5.11 2 6 0 66 242.323 7
Mid Mid (pH 6-8) 0.21 2.37 -25.13 3 6 1 67 243.331 7

Activity (Go SEA)

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