UCSF

ZINC37112675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.11 6.25 -111.64 4 3 2 41 331.298 7
Mid Mid (pH 6-8) 3.11 4.89 -42.42 3 3 1 40 330.29 7
Mid Mid (pH 6-8) 3.11 6.39 -25.98 3 3 1 40 330.29 7

Activity (Go SEA)

Rings

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