UCSF

ZINC36639467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 5.48 12.02 -18.82 1 4 0 51 431.355 6
Hi High (pH 8-9.5) 5.67 9.62 -48.63 0 4 -1 58 430.347 6

Activity (Go SEA)

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