UCSF

ZINC37453702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 21 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) 0.80 3.92 -54.96 3 7 -1 116 298.363 8
Lo Low (pH 4.5-6) 0.80 1.94 -16.34 4 7 0 113 299.371 8

Activity (Go SEA)

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