UCSF

ZINC32869441

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 23 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) 1.30 5.91 -44.31 3 5 1 68 316.425 4
Hi High (pH 8-9.5) 1.30 3.71 -15.19 2 5 0 67 315.417 4

Activity (Go SEA)

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