UCSF

ZINC13483140

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 13 Yes

Other Names:

MFCD08898618

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) 0.99 2.42 -13.07 3 4 0 68 179.223 2
Mid Mid (pH 6-8) 0.99 2.18 -26.82 4 4 1 69 180.231 2

Activity (Go SEA)

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