UCSF

ZINC50345758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2010 20 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) 3.37 8.29 -129.08 4 2 2 32 280.431 4
Mid Mid (pH 6-8) 3.37 6.12 -49.84 3 2 1 31 279.423 4
Mid Mid (pH 6-8) 3.37 8.57 -34.59 3 2 1 30 279.423 4

Activity (Go SEA)

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