UCSF

ZINC49572941

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 3.27 7.7 -40.93 2 5 1 60 299.435 8
Mid Mid (pH 6-8) 3.27 6.01 -14.06 1 5 0 59 298.427 8

Activity (Go SEA)

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