UCSF

ZINC32740449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 20 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) 2.46 7.91 -45.35 2 3 1 34 279.379 4
Hi High (pH 8-9.5) 2.46 5.65 -11.16 1 3 0 32 278.371 4

Activity (Go SEA)

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