UCSF

ZINC32113614

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.84 2.07 -52.26 3 4 1 49 265.377 6
Hi High (pH 8-9.5) 0.84 0.68 -6.81 2 4 0 45 264.369 6
Lo Low (pH 4.5-6) 0.84 3 -41.59 3 4 1 46 265.377 6

Activity (Go SEA)

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