UCSF

ZINC39271376

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 2.50 7.41 -10.29 0 4 0 48 243.262 5
Lo Low (pH 4.5-6) 2.50 7.86 -39.99 1 4 1 50 244.27 5

Activity (Go SEA)

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