UCSF

ZINC21782034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 1.54 1.57 -127.53 0 10 -2 144 440.455 6
Mid Mid (pH 6-8) 1.54 1.49 -55.51 1 10 -1 142 441.463 6

Activity (Go SEA)

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