UCSF

ZINC37043819

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 2.42 5.46 -49.68 1 5 -1 86 382.199 6
Hi High (pH 8-9.5) 2.42 5.54 -97.09 0 5 -2 88 381.191 6

Activity (Go SEA)

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