UCSF

ZINC38478425

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 16 Yes

Other Names:

MFCD16653442

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) 1.58 3.75 -50.59 1 5 -1 86 240.26 4
Hi High (pH 8-9.5) 1.58 3.81 -121.64 0 5 -2 88 239.252 4

Activity (Go SEA)

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