UCSF

ZINC44686170

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.68 8.8 -31.24 2 3 1 26 354.312 7
Hi High (pH 8-9.5) 3.68 6.4 -2.23 1 3 0 24 353.304 7
Lo Low (pH 4.5-6) 3.68 7.6 -37.53 2 3 1 29 354.312 7

Activity (Go SEA)

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