UCSF

ZINC36360046

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 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) 3.15 4.69 -12.66 1 5 0 58 394.294 2
Ref Reference (pH 7) 2.96 7.13 -13.15 1 5 0 54 394.294 2

Activity (Go SEA)

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