UCSF

ZINC34474952

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 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) 1.01 1.14 -7.34 2 3 0 56 205.044 2
Mid Mid (pH 6-8) 1.01 1.54 -56.69 3 3 1 58 206.052 2

Activity (Go SEA)

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