UCSF

ZINC32119054

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 27 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) 6.63 12.82 -20.39 1 4 0 51 402.947 7
Hi High (pH 8-9.5) 6.81 11.75 -45.17 0 4 -1 58 401.939 7

Activity (Go SEA)

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