UCSF

ZINC13815461

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 27 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) 2.80 6.69 -18.92 1 6 0 59 384.867 5
Mid Mid (pH 6-8) 2.80 7.12 -31.98 2 6 1 61 385.875 5

Activity (Go SEA)

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