UCSF

ZINC36136615

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) -0.29 4.1 -50.64 3 4 1 61 234.323 4
Lo Low (pH 4.5-6) -0.29 4.57 -88.19 4 4 2 62 235.331 4

Activity (Go SEA)

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