UCSF

ZINC21981955

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 9 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) 1.53 0.83 -31.24 2 2 1 34 128.126 0
Hi High (pH 8-9.5) 1.53 1.61 -19.62 1 2 0 37 127.118 0
Hi High (pH 8-9.5) 1.53 1.14 -36.77 0 2 -1 36 126.11 0
Mid Mid (pH 6-8) 1.53 0.36 -9.17 1 2 0 33 127.118 0

Activity (Go SEA)

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