UCSF

ZINC20928053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 15 Yes

Other Names:

MFCD13032380

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) 2.14 4.25 -43.31 2 3 1 35 230.715 6
Hi High (pH 8-9.5) 2.14 2.83 -5.04 1 3 0 30 229.707 6

Activity (Go SEA)

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