UCSF

ZINC19844926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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 5.59 -41.64 0 4 -1 56 241.698 5
Lo Low (pH 4.5-6) 2.76 6.04 -38.27 1 4 0 58 242.706 5

Activity (Go SEA)

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