UCSF

ZINC22747394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 32 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) 4.81 11.54 -56 3 6 1 62 490.436 6
Mid Mid (pH 6-8) 4.81 9.07 -21.5 2 6 0 61 489.428 6

Activity (Go SEA)

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