UCSF

ZINC51818375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 18 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) -0.75 2.83 -22.98 1 6 0 75 267.31 3
Lo Low (pH 4.5-6) -0.75 3.31 -52.12 2 6 1 76 268.318 3

Activity (Go SEA)

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