UCSF

ZINC20419241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 23 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) 2.80 7.95 -40.99 2 4 1 37 310.421 5
Mid Mid (pH 6-8) 2.80 5.75 -9.02 1 4 0 36 309.413 5
Mid Mid (pH 6-8) 2.80 8.02 -39.17 2 4 1 37 310.421 5

Activity (Go SEA)

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