UCSF

ZINC41721898

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 2.35 5.54 -46.61 0 6 -1 92 266.236 3
Lo Low (pH 4.5-6) 2.35 6 -77.31 1 6 0 93 267.244 3

Activity (Go SEA)

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