UCSF

ZINC13827087

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 19 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) 0.58 4.93 -13.87 1 7 0 82 266.301 5
Mid Mid (pH 6-8) 0.58 5.42 -50.88 2 7 1 83 267.309 5

Activity (Go SEA)

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