UCSF

ZINC42764715

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.03 7.02 -41.34 1 3 1 31 212.361 7
Hi High (pH 8-9.5) 2.03 4.63 -4.37 0 3 0 30 211.353 7
Lo Low (pH 4.5-6) 2.03 8.6 -119.8 2 3 2 33 213.369 7

Activity (Go SEA)

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