UCSF

ZINC16666470

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 27 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) 4.67 8.12 -12.67 1 6 0 73 384.457 5
Lo Low (pH 4.5-6) 4.18 8.66 -17.69 1 6 0 70 384.457 6

Activity (Go SEA)

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