UCSF

ZINC00341646

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 3.58 0.82 -15.39 1 3 0 41 276.339 3
Lo Low (pH 4.5-6) 3.58 0.46 -31.85 2 3 1 43 277.347 3

Activity (Go SEA)

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