UCSF

ZINC34891509

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 35 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) 4.93 7.56 -61.7 1 10 -1 131 493.521 9
Lo Low (pH 4.5-6) 4.93 8.11 -18.91 2 10 0 129 494.529 9

Activity (Go SEA)

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