UCSF

ZINC00267109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 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) 0.91 5.23 -61.12 1 5 -1 82 221.236 5
Lo Low (pH 4.5-6) 0.91 5 -60.26 2 5 0 83 222.244 5

Activity (Go SEA)

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