UCSF

ZINC32115986

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 0.60 1.54 -55.39 3 4 1 49 269.34 6
Hi High (pH 8-9.5) 0.60 0.16 -7.03 2 4 0 45 268.332 6
Lo Low (pH 4.5-6) 0.60 2.48 -42.91 3 4 1 46 269.34 6

Activity (Go SEA)

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