UCSF

ZINC32120304

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 No

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) 0.55 0.97 -65.71 3 4 1 71 274.337 4
Hi High (pH 8-9.5) 0.55 -0.31 -14.99 2 4 0 66 273.329 4

Activity (Go SEA)

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