UCSF

ZINC36127972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) -1.68 1.03 -51.35 4 6 1 90 263.321 4
Hi High (pH 8-9.5) -1.49 0.87 -59.02 3 6 0 96 262.313 4
Hi High (pH 8-9.5) -1.68 0.65 -9.56 3 6 0 88 262.313 4
Lo Low (pH 4.5-6) -1.68 1.49 -89.73 5 6 2 91 264.329 4

Activity (Go SEA)

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