UCSF

ZINC22699038

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 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) 3.04 7.35 -14.92 1 7 0 91 346.412 5
Hi High (pH 8-9.5) 3.11 6.48 -38.37 0 7 -1 97 345.404 5
Mid Mid (pH 6-8) 3.97 9.18 -53.24 2 7 1 95 347.42 4

Activity (Go SEA)

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