UCSF

ZINC37109688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.15 6.64 -133.23 4 3 2 41 288.435 6
Mid Mid (pH 6-8) 3.15 5.5 -48.08 3 3 1 40 287.427 6
Mid Mid (pH 6-8) 3.15 6.26 -34.75 3 3 1 40 287.427 6

Activity (Go SEA)

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