UCSF

ZINC03153863

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 21 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) 2.13 2.17 -13.86 3 6 0 90 283.287 3
Hi High (pH 8-9.5) 2.13 1.92 -42.17 2 6 -1 93 282.279 3
Lo Low (pH 4.5-6) 2.13 1.42 -45.86 4 6 1 92 284.295 3
Lo Low (pH 4.5-6) 2.13 2.62 -13.18 4 6 0 92 284.295 3

Activity (Go SEA)

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