UCSF

ZINC37794039

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.80 8.62 -59.91 1 4 -1 69 296.412 8
Lo Low (pH 4.5-6) 2.80 6.05 -7.84 2 4 0 66 297.42 8

Activity (Go SEA)

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