UCSF

ZINC37156262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 3.62 10.13 -99.35 3 3 2 36 265.445 5
Mid Mid (pH 6-8) 3.62 9.63 -38.05 2 3 1 34 264.437 5

Activity (Go SEA)

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