UCSF

ZINC35844666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 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) 5.36 14.38 -58.54 1 3 1 19 453.475 11
Hi High (pH 8-9.5) 5.36 13.26 -13.06 0 3 0 17 452.467 11

Activity (Go SEA)

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