UCSF

ZINC31809768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 19 Yes

Other Names:

MFCD12215284

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) 1.06 5.26 -62.65 0 5 -1 64 267.349 3
Mid Mid (pH 6-8) 1.06 7.64 -81.98 1 5 0 65 268.357 3
Lo Low (pH 4.5-6) 1.06 6.52 -52.78 2 5 1 62 269.365 3

Activity (Go SEA)

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