UCSF

ZINC36356884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 30 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) 4.84 8.34 -18.59 1 7 0 89 440.29 3
Ref Reference (pH 7) 4.65 11.08 -19.55 1 7 0 86 440.29 3

Activity (Go SEA)

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