UCSF

ZINC37120653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 4.69 9.64 -52.99 1 3 -1 52 288.754 4
Lo Low (pH 4.5-6) 4.69 7.67 -8.04 2 3 0 49 289.762 4

Activity (Go SEA)

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