UCSF

ZINC15444064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 19 Yes

Other Names:

MFCD09877851

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) 4.09 7.99 -9.41 1 3 0 46 274.389 4
Mid Mid (pH 6-8) 4.54 6.13 -49.36 0 3 -1 49 273.381 4

Activity (Go SEA)

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