UCSF

ZINC35408676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -2.20 -0.71 -113.35 1 8 -2 127 253.214 5
Lo Low (pH 4.5-6) -2.20 -1.43 -59.5 2 8 -1 124 254.222 5

Activity (Go SEA)

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