UCSF

ZINC02221917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 25 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) 4.07 12.93 -12.69 0 5 0 52 332.407 4
Mid Mid (pH 6-8) 4.07 13.45 -30.84 1 5 1 54 333.415 4
Lo Low (pH 4.5-6) 4.07 13.26 -35.35 1 5 1 54 333.415 4

Activity (Go SEA)

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