UCSF

ZINC05409043

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 27 No

Other Names:

MFCD03044355

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) 2.72 7.06 -43.33 1 5 -1 81 368.384 5
Mid Mid (pH 6-8) 2.14 -0.75 -21.12 1 5 0 74 369.392 5
Mid Mid (pH 6-8) 3.17 5.73 -28.23 2 5 0 78 369.392 4

Activity (Go SEA)

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