UCSF

ZINC19942975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 Yes

Other Names:

MFCD04215011

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) 4.13 9.19 -15.91 2 3 0 29 335.269 6
Mid Mid (pH 6-8) 4.13 9.09 -4.26 1 3 0 28 334.261 6

Activity (Go SEA)

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