UCSF

ZINC32502129

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 32 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) 3.53 10.63 -53.49 1 7 1 75 434.468 5
Hi High (pH 8-9.5) 3.53 7.73 -13.61 0 7 0 74 433.46 5

Activity (Go SEA)

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