UCSF

ZINC19740311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 26 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) 2.94 7.73 -34.56 2 4 1 37 355.502 8
Lo Low (pH 4.5-6) 2.94 7.71 -39.74 2 4 1 37 355.502 8

Activity (Go SEA)

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