UCSF

ZINC19968456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 13 Yes

Other Names:

MFCD28126383

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) 1.12 4.91 -53.49 3 1 1 28 186.225 3
Hi High (pH 8-9.5) 1.12 4.62 -4.69 2 1 0 26 185.217 3

Activity (Go SEA)

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