UCSF

ZINC00633704

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 4.34 12.89 -13.33 0 4 0 43 418.213 2
Mid Mid (pH 6-8) 4.35 14.26 -49.54 2 4 1 47 419.221 2
Lo Low (pH 4.5-6) 4.34 13.41 -36.13 1 4 1 44 419.221 2

Activity (Go SEA)

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