UCSF

ZINC33926286

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 25 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) 2.34 -0.66 -44.42 2 7 -1 115 402.18 2
Hi High (pH 8-9.5) 2.34 0.13 -102.37 1 7 -2 118 401.172 2
Lo Low (pH 4.5-6) 1.88 2 -9.87 3 7 0 112 403.188 2

Activity (Go SEA)

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