UCSF

ZINC52273645

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.52 2.74 -4.77 3 3 0 51 163.224 2
Mid Mid (pH 6-8) 1.52 3.18 -25.86 4 3 1 52 164.232 2

Activity (Go SEA)

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