UCSF

ZINC37097058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.13 9.13 -118.95 4 2 2 32 270.42 6
Mid Mid (pH 6-8) 3.13 8.74 -28.44 3 2 1 30 269.412 6
Mid Mid (pH 6-8) 3.13 7.58 -45.07 3 2 1 31 269.412 6

Activity (Go SEA)

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