UCSF

ZINC20933646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 21 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) 4.04 9.12 -39.88 2 3 1 35 351.264 6
Mid Mid (pH 6-8) 4.04 8.36 -4.33 1 3 0 30 350.256 6

Activity (Go SEA)

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