UCSF

ZINC20639580

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 21 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) 2.54 8.9 -40.15 1 4 1 34 291.415 7
Hi High (pH 8-9.5) 2.54 6.44 -10.65 0 4 0 33 290.407 7
Mid Mid (pH 6-8) 2.54 8.76 -39.62 1 4 1 34 291.415 7

Activity (Go SEA)

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