UCSF

ZINC12560773

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 19 Yes

Other Names:

MFCD00557262

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) 3.40 5.75 -10.39 1 4 0 59 406.099 3
Hi High (pH 8-9.5) 3.40 5.83 -41.4 0 4 -1 61 405.091 3
Lo Low (pH 4.5-6) 3.40 6.1 -31.9 2 4 1 60 407.107 3

Activity (Go SEA)

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