UCSF

ZINC35764860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 16 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) 2.11 6.5 -44.3 3 3 1 44 220.34 4
Hi High (pH 8-9.5) 2.11 6.1 -3.43 2 3 0 42 219.332 4
Mid Mid (pH 6-8) 2.11 6.18 -101.33 4 3 2 45 221.348 4

Activity (Go SEA)

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