UCSF

ZINC20464127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 32 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) 4.25 6.8 -51.52 3 8 1 94 448.425 6
Mid Mid (pH 6-8) 4.25 4.3 -12.9 2 8 0 93 447.417 6

Activity (Go SEA)

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