UCSF

ZINC52341874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 17 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) 1.66 4.77 -5.35 1 5 0 72 238.287 3
Hi High (pH 8-9.5) 2.12 2.1 -37.93 0 5 -1 75 237.279 3

Activity (Go SEA)

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