UCSF

ZINC19685407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 Yes

Other Names:

MFCD11585367

MFCD19380072

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) 0.01 3.22 -40.47 2 4 1 37 214.333 5
Hi High (pH 8-9.5) 0.01 1.25 -6.77 1 4 0 36 213.325 5
Mid Mid (pH 6-8) 0.01 4.61 -98.75 3 4 2 41 215.341 5

Activity (Go SEA)

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