UCSF

ZINC37265779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.55 6.7 -52.1 0 5 -1 70 278.328 3
Lo Low (pH 4.5-6) 0.55 5.04 -14.67 1 5 0 67 279.336 3

Activity (Go SEA)

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