UCSF

ZINC19224119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 28 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) 4.92 12.35 -8.19 1 3 0 32 391.877 3
Mid Mid (pH 6-8) 4.92 12.64 -36.86 2 3 1 33 392.885 3

Activity (Go SEA)

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