UCSF

ZINC44259882

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) -0.27 -0.07 -49.36 3 6 1 81 317.41 6
Mid Mid (pH 6-8) -0.27 2.13 -111.82 4 6 2 82 318.418 6

Activity (Go SEA)

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