UCSF

ZINC34207403

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 24 No

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) 2.99 5.4 -46.66 1 5 -1 78 337.38 2
Hi High (pH 8-9.5) 2.99 6.18 -105.06 0 5 -2 81 336.372 2
Lo Low (pH 4.5-6) 2.53 7.4 -9.74 2 5 0 75 338.388 2

Activity (Go SEA)

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