UCSF

ZINC21499879

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 18 Yes

Other Names:

MFCD11522051

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) 2.88 8.48 -59.1 0 4 -1 58 257.294 3
Mid Mid (pH 6-8) 2.88 8.92 -70.16 1 4 0 59 258.302 3

Activity (Go SEA)

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