UCSF

ZINC00721858

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 3.00 -7.69 -19.27 4 12 0 147 492.54 6
Lo Low (pH 4.5-6) 3.00 -7.46 -37.34 5 12 1 148 493.548 6
Lo Low (pH 4.5-6) 3.00 -7.24 -78 6 12 2 149 494.556 6

Activity (Go SEA)

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