UCSF

ZINC20420050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) -1.16 -2.01 -49.25 4 5 1 69 218.321 8
Hi High (pH 8-9.5) -1.16 -0.09 -35.15 4 5 1 69 218.321 8
Mid Mid (pH 6-8) -1.16 0.29 -104.84 5 5 2 70 219.329 8

Activity (Go SEA)

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