UCSF

ZINC34885425

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 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) 3.44 5.75 -17.22 1 8 0 89 448.449 7
Lo Low (pH 4.5-6) 3.44 5.84 -40.21 2 8 1 90 449.457 7

Activity (Go SEA)

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