UCSF

ZINC16641366

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 26 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) 2.63 4.38 -22.72 2 7 0 97 389.458 6
Hi High (pH 8-9.5) 2.63 4.45 -61.88 1 7 -1 99 388.45 6

Activity (Go SEA)

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