UCSF

ZINC19794270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 23 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) 4.93 10.28 -55.04 2 4 0 66 304.349 3
Mid Mid (pH 6-8) 4.67 9.77 -46.5 2 4 0 70 304.349 2

Activity (Go SEA)

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