UCSF

ZINC37822795

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.94 1.4 -50.13 3 4 1 51 210.301 4
Lo Low (pH 4.5-6) -0.94 3.65 -98.19 4 4 2 52 211.309 4

Activity (Go SEA)

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