UCSF

ZINC21704697

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 2.90 8.57 -48.02 1 8 0 95 451.552 6
Hi High (pH 8-9.5) 2.90 6.36 -51.9 0 8 -1 94 450.544 6
Mid Mid (pH 6-8) 3.08 7.36 -24.84 1 8 0 88 451.552 6
Lo Low (pH 4.5-6) 3.08 9.64 -67.1 2 8 1 89 452.56 6

Activity (Go SEA)

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