UCSF

ZINC13425479

Substance Information

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

Other Names:

MFCD00206941

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) 2.69 6.14 -12.86 1 4 0 63 278.308 4
Hi High (pH 8-9.5) 3.14 4.15 -44.19 0 4 -1 66 277.3 4
Mid Mid (pH 6-8) 2.69 5.53 -17.81 1 4 0 63 278.308 4

Activity (Go SEA)

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