UCSF

ZINC36639246

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) 5.61 11.21 -16.89 1 3 0 42 377.296 4
Hi High (pH 8-9.5) 5.68 10.49 -49.58 0 3 -1 48 376.288 4

Activity (Go SEA)

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