UCSF

ZINC44675843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 14 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) 1.59 5.78 -115.84 4 2 2 33 192.306 5
Mid Mid (pH 6-8) 1.59 4.5 -38.37 3 2 1 29 191.298 5
Mid Mid (pH 6-8) 1.59 4.34 -38.59 3 2 1 29 191.298 5

Activity (Go SEA)

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