UCSF

ZINC19582735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 28 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) 3.25 9.98 -67.76 1 5 0 65 402.853 6
Hi High (pH 8-9.5) 3.25 7.45 -52.77 0 5 -1 64 401.845 6
Lo Low (pH 4.5-6) 3.25 9.17 -51.08 2 5 1 62 403.861 6

Activity (Go SEA)

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