UCSF

ZINC53130715

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 2.00 6.66 -44.85 3 2 1 41 227.331 4
Hi High (pH 8-9.5) 2.00 6.4 -5.55 2 2 0 39 226.323 4
Lo Low (pH 4.5-6) 2.00 7.13 -108.3 4 2 2 42 228.339 4

Activity (Go SEA)

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