UCSF

ZINC36331494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 17 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) 1.97 4.15 -52.42 2 3 1 51 274.431 3
Mid Mid (pH 6-8) 1.97 3.14 -10.94 1 3 0 46 273.423 3

Activity (Go SEA)

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