UCSF

ZINC29059947

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 20 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) 3.22 4.21 -13.88 2 5 0 78 303.368 2
Hi High (pH 8-9.5) 3.67 3 -50.82 1 5 -1 81 302.36 2

Activity (Go SEA)

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