UCSF

ZINC45364782

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 25 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) 2.93 11.85 -72.28 0 4 -1 62 346.284 4
Mid Mid (pH 6-8) 2.93 11.02 -33.05 1 4 0 65 347.292 4

Activity (Go SEA)

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