UCSF

ZINC13596841

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 3.97 8.44 -42.61 2 6 1 63 376.521 8
Mid Mid (pH 6-8) 4.16 5.87 -46.62 1 6 0 69 375.513 8

Activity (Go SEA)

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