UCSF

ZINC34476537

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 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) 4.26 9.53 -41.56 0 7 -1 92 375.408 6
Lo Low (pH 4.5-6) 4.26 9.78 -12.73 1 7 0 94 376.416 6

Activity (Go SEA)

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