UCSF

ZINC36367233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 31 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) 5.00 8.26 -53.47 1 6 -1 93 472.329 2
Ref Reference (pH 7) 4.81 10.85 -48.25 1 6 -1 90 472.329 2

Activity (Go SEA)

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