UCSF

ZINC39317059

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 1.34 4.51 -57.05 3 3 1 45 220.321 1
Hi High (pH 8-9.5) 1.34 4.14 -12.38 2 3 0 44 219.313 1
Lo Low (pH 4.5-6) 1.34 4.97 -94.4 4 3 2 47 221.329 1

Activity (Go SEA)

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