UCSF

ZINC34753012

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 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) 2.75 6.77 -58.17 1 4 -1 69 242.339 7
Lo Low (pH 4.5-6) 2.75 5.06 -9.59 2 4 0 66 243.347 7

Activity (Go SEA)

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