UCSF

ZINC37112677

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 6.17 -118.07 4 3 2 41 331.298 7
Mid Mid (pH 6-8) 3.11 4.61 -42.18 3 3 1 40 330.29 7
Mid Mid (pH 6-8) 3.11 6.48 -26.5 3 3 1 40 330.29 7

Activity (Go SEA)

Rings

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