UCSF

ZINC53661401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.26 3.36 -36.23 2 3 1 29 203.35 9
Hi High (pH 8-9.5) 1.26 2.01 -2.46 1 3 0 24 202.342 9
Lo Low (pH 4.5-6) 1.26 5.78 -107.67 3 3 2 30 204.358 9

Activity (Go SEA)

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