UCSF

ZINC49545118

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 2.40 5.81 -100.78 4 3 2 41 244.423 7
Mid Mid (pH 6-8) 2.40 6.37 -40.92 3 3 1 44 243.415 7

Activity (Go SEA)

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