UCSF

ZINC20907765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 3.19 5.73 -30.29 2 3 1 28 327.439 6
Hi High (pH 8-9.5) 3.19 4.1 -5.62 1 3 0 27 326.431 6
Mid Mid (pH 6-8) 3.19 6.49 -36.83 2 3 1 28 327.439 6

Activity (Go SEA)

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