UCSF

ZINC45206700

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 15 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) 1.83 5.16 -49.96 3 2 1 41 201.293 3
Lo Low (pH 4.5-6) 1.83 5.6 -97.53 4 2 2 42 202.301 3

Activity (Go SEA)

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