UCSF

ZINC13468234

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 22 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) 4.57 5.81 -37.19 0 4 -1 66 347.725 5
Mid Mid (pH 6-8) 4.11 6.93 -10.14 1 4 0 63 348.733 5

Activity (Go SEA)

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