UCSF

ZINC35701974

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 30 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) 7.03 13.86 -13.54 1 4 0 39 440.374 6
Mid Mid (pH 6-8) 7.03 14.24 -27.82 2 4 1 40 441.382 6

Activity (Go SEA)

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