UCSF

ZINC44460318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2010 25 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) -3.76 -4.22 -239.32 3 14 -3 226 401.137 6
Mid Mid (pH 6-8) -3.76 -5.37 -122.06 4 14 -2 224 402.145 6

Activity (Go SEA)

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