UCSF

ZINC13990031

Substance Information

In ZINC since Heavy atoms Benign functionality
July 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) 2.99 9.26 -49.11 2 4 1 47 349.454 8
Lo Low (pH 4.5-6) 2.99 9.54 -113.06 3 4 2 48 350.462 8

Activity (Go SEA)

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