UCSF

ZINC44727318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 20 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) 3.06 10.19 -46.99 1 3 1 22 290.818 3
Hi High (pH 8-9.5) 3.06 7.86 -7.58 0 3 0 21 289.81 3
Lo Low (pH 4.5-6) 3.06 10.44 -82.74 2 3 2 24 291.826 3

Activity (Go SEA)

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