UCSF

ZINC44409278

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 15 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) 1.48 5.25 -39.86 3 3 1 54 208.281 5
Hi High (pH 8-9.5) 1.48 4.95 -10.11 2 3 0 52 207.273 5

Activity (Go SEA)

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