UCSF

ZINC26895972

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) 0.16 0.35 -27.67 3 3 1 50 127.167 2
Mid Mid (pH 6-8) 0.16 -0.08 -7.36 2 3 0 49 126.159 2
Mid Mid (pH 6-8) 0.16 -0.09 -9.24 2 3 0 49 126.159 2

Activity (Go SEA)

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