UCSF

ZINC20464026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 34 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) 2.89 6.1 -54.1 3 9 -1 140 479.538 9
Mid Mid (pH 6-8) 2.43 7.22 -26.16 4 9 0 136 480.546 9

Activity (Go SEA)

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