UCSF

ZINC37796253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -1.64 1.43 -75.38 4 7 0 117 257.29 6
Lo Low (pH 4.5-6) -1.64 -0.55 -47.47 5 7 1 114 258.298 6

Activity (Go SEA)

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