UCSF

ZINC37106393

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) 2.78 11.18 -47.13 2 3 1 34 284.427 6
Hi High (pH 8-9.5) 2.78 10.39 -5.56 1 3 0 30 283.419 6
Mid Mid (pH 6-8) 2.78 11.92 -105.25 3 3 2 36 285.435 6

Activity (Go SEA)

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