UCSF

ZINC13734402

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 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) 2.18 6.46 -40.25 2 5 1 44 311.446 11
Mid Mid (pH 6-8) 2.18 5.69 -52.3 2 5 1 48 311.446 11

Activity (Go SEA)

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