UCSF

ZINC37083448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.88 7.08 -87.11 5 3 2 56 247.386 4
Hi High (pH 8-9.5) 1.88 7.26 -35.17 4 3 1 54 246.378 4

Activity (Go SEA)

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