UCSF

ZINC19335353

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 27 No

Other Names:

MFCD00717077

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) 2.28 8.1 -11.98 0 5 0 44 371.387 3
Ref Reference (pH 7) 2.28 7.82 -12.91 0 5 0 44 371.387 3
Mid Mid (pH 6-8) 2.28 10.26 -59.26 1 5 1 45 372.395 3

Activity (Go SEA)

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