UCSF

ZINC45699755

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 3.22 9.16 -34.29 1 3 1 25 277.432 8
Hi High (pH 8-9.5) 3.22 6.68 -6.07 0 3 0 24 276.424 8
Lo Low (pH 4.5-6) 3.22 11.14 -108.75 2 3 2 26 278.44 8

Activity (Go SEA)

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