UCSF

ZINC33422694

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 26 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) 5.70 10.63 -19.86 1 5 0 64 426.35 6
Mid Mid (pH 6-8) 5.22 9.74 -50.63 0 5 -1 70 425.342 6

Activity (Go SEA)

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