UCSF

ZINC19685137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 12 Yes

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) -1.61 -1.9 -93.15 5 4 2 56 175.276 3
Hi High (pH 8-9.5) -1.61 -4.75 -4.98 3 4 0 53 173.26 3
Mid Mid (pH 6-8) -1.61 -4.37 -49.41 4 4 1 54 174.268 3

Activity (Go SEA)

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