UCSF

ZINC36809326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.56 6.75 -47.41 3 3 1 44 246.378 2
Hi High (pH 8-9.5) 2.56 6.43 -3.63 2 3 0 42 245.37 2
Mid Mid (pH 6-8) 2.56 7.26 -103.53 4 3 2 45 247.386 2

Activity (Go SEA)

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