UCSF

ZINC37795871

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) 1.06 5.34 -54.36 2 6 -1 98 275.284 4
Lo Low (pH 4.5-6) 1.06 3.56 -18.23 3 6 0 95 276.292 4

Activity (Go SEA)

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