UCSF

ZINC36885394

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) -1.30 2.59 -45.53 1 7 -1 87 284.336 6
Mid Mid (pH 6-8) -1.30 4.89 -50.06 2 7 0 88 285.344 6

Activity (Go SEA)

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