UCSF

ZINC33937818

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 3.37 5.04 -45.62 1 5 -1 78 402.249 2
Hi High (pH 8-9.5) 3.37 5.82 -100.29 0 5 -2 81 401.241 2
Lo Low (pH 4.5-6) 2.91 6.99 -8.89 2 5 0 75 403.257 2

Activity (Go SEA)

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