UCSF

ZINC36875244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 2.56 7.67 -125.7 4 2 2 32 248.414 4
Hi High (pH 8-9.5) 2.56 7.29 -28.77 3 2 1 30 247.406 4
Mid Mid (pH 6-8) 2.56 6.37 -47.29 3 2 1 31 247.406 4

Activity (Go SEA)

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