UCSF

ZINC35501694

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 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) 2.27 2.62 -6.74 2 4 0 50 310.222 4
Mid Mid (pH 6-8) 2.27 3.58 -48.03 3 4 1 55 311.23 4

Activity (Go SEA)

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