UCSF

ZINC36642224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 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) 3.02 9.31 -52.17 1 5 1 47 334.465 6
Hi High (pH 8-9.5) 3.02 6.85 -10.64 0 5 0 46 333.457 6

Activity (Go SEA)

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