UCSF

ZINC23317547

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 30 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) 2.68 7.31 -15.59 1 7 0 79 428.851 4
Lo Low (pH 4.5-6) 2.68 7.61 -43.99 2 7 1 80 429.859 4

Activity (Go SEA)

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