UCSF

ZINC00756820

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) 4.80 16.91 -17.23 2 10 0 99 488.596 7
Lo Low (pH 4.5-6) 4.80 17.33 -36.17 3 10 1 100 489.604 7

Activity (Go SEA)

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