UCSF

ZINC37241050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.53 6.63 -30.86 2 3 1 26 249.378 6
Lo Low (pH 4.5-6) 2.53 7.85 -109.12 3 3 2 30 250.386 6

Activity (Go SEA)

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