UCSF

ZINC33010333

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 3.63 9.26 -69.85 2 7 0 90 424.888 4
Mid Mid (pH 6-8) 3.63 9.51 -99.31 3 7 1 91 425.896 4
Mid Mid (pH 6-8) 3.63 6.79 -49.14 1 7 -1 89 423.88 4

Activity (Go SEA)

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