UCSF

ZINC12436631

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 22 No

Other Names:

MFCD00683366

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) 3.27 7.93 -15.73 0 4 0 36 315.442 3
Lo Low (pH 4.5-6) 3.27 8.86 -25.65 1 4 1 38 316.45 3

Activity (Go SEA)

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