UCSF

ZINC42869704

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 1.38 3.86 -54.78 4 4 1 74 311.471 5
Hi High (pH 8-9.5) 1.38 3.53 -8.42 3 4 0 72 310.463 5

Activity (Go SEA)

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