UCSF

ZINC37791888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 3.01 7.44 -51.03 1 4 -1 69 301.149 4
Lo Low (pH 4.5-6) 3.01 5.49 -14.6 2 4 0 66 302.157 4

Activity (Go SEA)

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