UCSF

ZINC36360972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 2.64 6.52 -13.39 1 6 0 60 385.439 7
Mid Mid (pH 6-8) 2.64 8.79 -56.29 2 6 1 61 386.447 7

Activity (Go SEA)

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