UCSF

ZINC36668053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.71 5.64 -36.78 2 2 1 26 277.157 5
Hi High (pH 8-9.5) 2.71 4.41 -3.53 1 2 0 21 276.149 5

Activity (Go SEA)

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