UCSF

ZINC70613256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 3.12 7.96 -109.59 3 2 2 21 214.397 5
Mid Mid (pH 6-8) 3.12 6.31 -32.6 2 2 1 20 213.389 5
Mid Mid (pH 6-8) 3.12 6.85 -28.94 2 2 1 16 213.389 5

Activity (Go SEA)

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