UCSF

ZINC11906627

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 30 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) 2.03 -12.97 -23.32 3 9 0 144 473.598 5
Hi High (pH 8-9.5) 2.03 -12.41 -53.34 2 9 -1 146 472.59 5

Activity (Go SEA)

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