UCSF

ZINC36367340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 32 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) 4.45 8.75 -58.42 1 6 -1 93 447.467 4
Ref Reference (pH 7) 4.27 11.37 -52.86 1 6 -1 90 447.467 4

Activity (Go SEA)

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