UCSF

ZINC36795678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.09 1.03 -47.16 4 4 1 64 208.285 2
Hi High (pH 8-9.5) 0.09 0.63 -5.2 3 4 0 62 207.277 2
Mid Mid (pH 6-8) 0.09 1.35 -102.92 5 4 2 65 209.293 2

Activity (Go SEA)

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