UCSF

ZINC19555488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 1.95 6.62 -48.03 2 7 1 72 357.434 4
Mid Mid (pH 6-8) 1.95 4.22 -13.12 1 7 0 71 356.426 4
Mid Mid (pH 6-8) 2.41 5.63 -52.71 1 7 0 75 356.426 4

Activity (Go SEA)

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