UCSF

ZINC18055237

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 23 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) 3.11 6.49 -48.75 1 4 -1 69 375.173 3
Mid Mid (pH 6-8) 2.52 6.06 -11.38 1 4 0 63 376.181 3
Lo Low (pH 4.5-6) 3.11 5.2 -18.63 2 4 0 66 376.181 3

Activity (Go SEA)

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