UCSF

ZINC37050029

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.11 3.07 -85.86 5 4 2 56 279.428 6
Mid Mid (pH 6-8) 1.11 0.81 -46.8 4 4 1 54 278.42 6

Activity (Go SEA)

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