UCSF

ZINC37029520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.36 3.45 -48.47 4 7 1 112 268.293 6
Hi High (pH 8-9.5) 1.36 3.12 -7.72 3 7 0 110 267.285 6

Activity (Go SEA)

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