UCSF

ZINC35047580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 4.01 9.8 -6.55 1 1 0 12 301.43 4
Lo Low (pH 4.5-6) 4.01 10.96 -52.25 2 1 1 17 302.438 4

Activity (Go SEA)

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