UCSF

ZINC34574458

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 23 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) 3.57 11.59 -50.12 0 5 -1 70 320.409 10
Lo Low (pH 4.5-6) 3.57 9.61 -11.74 1 5 0 67 321.417 10

Activity (Go SEA)

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