UCSF

ZINC38194748

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 37 No

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) 4.62 10.66 -59.79 0 8 -1 101 513.551 5
Lo Low (pH 4.5-6) 4.62 9.93 -17.09 1 8 0 98 514.559 5

Activity (Go SEA)

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