UCSF

ZINC21640313

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 3.82 9.75 -11.1 0 4 0 32 358.436 3
Mid Mid (pH 6-8) 3.82 10.04 -38.82 1 4 1 34 359.444 3

Activity (Go SEA)

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