UCSF

ZINC32110582

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 0.22 3.39 -67.49 2 6 0 83 258.318 7
Hi High (pH 8-9.5) 0.22 1.18 -57.99 1 6 -1 82 257.31 7

Activity (Go SEA)

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