UCSF

ZINC44624902

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) -1.12 3.81 -58.97 3 5 0 88 230.308 5
Mid Mid (pH 6-8) -1.12 3.56 -48.76 2 5 -1 86 229.3 5

Activity (Go SEA)

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