UCSF

ZINC37796010

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) -0.54 0.71 -53.94 3 7 -1 119 279.272 7
Lo Low (pH 4.5-6) -0.54 -1.26 -18.16 4 7 0 116 280.28 7

Activity (Go SEA)

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