UCSF

ZINC37102046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.76 5.55 -42.48 1 5 -1 65 268.275 4
Lo Low (pH 4.5-6) 2.76 5.63 -9.86 2 5 0 66 269.283 4

Activity (Go SEA)

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