UCSF

ZINC37033158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 1.41 3.7 -51.21 3 6 1 92 246.193 4
Hi High (pH 8-9.5) 1.41 2.27 -11.13 2 6 0 87 245.185 4

Activity (Go SEA)

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