UCSF

ZINC36888306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 3.72 8.17 -10.57 1 3 0 46 284.265 2
Hi High (pH 8-9.5) 4.18 6.3 -48.66 0 3 -1 49 283.257 2

Activity (Go SEA)

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