UCSF

ZINC36354717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 3.31 5.16 -12.71 3 6 0 90 381.457 5
Ref Reference (pH 7) 3.13 7.52 -12.05 3 6 0 86 381.457 5

Activity (Go SEA)

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