UCSF

ZINC44895904

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 2.62 8.31 -17.47 1 4 0 66 301.349 4
Mid Mid (pH 6-8) 2.69 5.64 -13.36 1 4 0 69 301.349 4
Lo Low (pH 4.5-6) 2.62 8.67 -44.34 2 4 1 67 302.357 4

Activity (Go SEA)

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