UCSF

ZINC37833568

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.04 8.74 -57.69 0 4 -1 60 282.266 5
Lo Low (pH 4.5-6) 2.04 6.85 -15.88 1 4 0 58 283.274 5

Activity (Go SEA)

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