UCSF

ZINC13502014

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 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) 4.69 10.54 -12.28 1 6 0 57 423.9 7
Mid Mid (pH 6-8) 4.69 10.98 -36.21 2 6 1 58 424.908 7

Activity (Go SEA)

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