UCSF

ZINC35765367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 17 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) 2.50 6.93 -119.6 4 2 2 32 234.387 5
Hi High (pH 8-9.5) 2.50 7.34 -28.96 3 2 1 30 233.379 5
Mid Mid (pH 6-8) 2.50 5.42 -43.56 3 2 1 31 233.379 5

Activity (Go SEA)

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