UCSF

ZINC32105547

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 0.44 1.55 -50.79 3 4 1 49 251.35 6
Hi High (pH 8-9.5) 0.44 0.05 -6.18 2 4 0 45 250.342 6
Lo Low (pH 4.5-6) 0.44 2.37 -40.59 3 4 1 46 251.35 6

Activity (Go SEA)

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