UCSF

ZINC35587823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 29 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) 4.95 6.45 -52.22 0 6 -1 86 468.001 5
Lo Low (pH 4.5-6) 4.95 6.32 -13.83 1 6 0 84 469.009 5

Activity (Go SEA)

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