UCSF

ZINC44994788

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 0.05 3.49 -37.05 2 4 1 42 207.301 3
Hi High (pH 8-9.5) 0.05 2.21 -43.56 2 4 1 46 207.301 3
Lo Low (pH 4.5-6) 0.05 4.74 -113.91 3 4 2 47 208.309 3

Activity (Go SEA)

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