UCSF

ZINC38042624

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 15 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 5.03 -32.7 1 4 0 48 212.293 2
Lo Low (pH 4.5-6) -1.06 7.4 -77.07 2 4 1 49 213.301 2

Activity (Go SEA)

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