UCSF

ZINC35894193

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 4.24 12.39 -43.32 2 6 1 55 464.63 7
Mid Mid (pH 6-8) 4.24 10.15 -14.76 1 6 0 54 463.622 7

Activity (Go SEA)

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