UCSF

ZINC45630549

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 11 No

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) 1.33 3.91 -6.24 1 2 0 36 150.225 3
Mid Mid (pH 6-8) 1.33 5.23 -54.13 2 2 1 40 151.233 3

Activity (Go SEA)

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