UCSF

ZINC37120800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 14 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) 2.96 6.19 -52.03 1 3 -1 52 192.238 4
Lo Low (pH 4.5-6) 2.96 4.23 -6.53 2 3 0 49 193.246 4

Activity (Go SEA)

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