UCSF

ZINC41201957

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 17 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) 3.47 5.54 -38.27 3 2 1 41 267.443 4
Mid Mid (pH 6-8) 3.47 5.3 -6.16 2 2 0 39 266.435 4

Activity (Go SEA)

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