UCSF

ZINC37117155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.17 3.4 -9.41 2 3 0 41 218.3 3
Mid Mid (pH 6-8) 1.17 4.6 -42.47 3 3 1 46 219.308 3

Activity (Go SEA)

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