UCSF

ZINC18255062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 19 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) 2.74 4.78 -11.74 1 4 0 62 292.385 2
Lo Low (pH 4.5-6) 2.74 5.86 -34.22 2 4 1 64 293.393 2

Activity (Go SEA)

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