UCSF

ZINC32147289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 3.09 5.76 -49.85 4 4 1 66 291.415 6
Hi High (pH 8-9.5) 3.09 5.43 -11.82 3 4 0 64 290.407 6

Activity (Go SEA)

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