UCSF

ZINC04003073

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 20 Yes

Other Names:

MFCD01568981

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) 3.69 10.78 -43.53 1 3 1 22 286.786 3
Mid Mid (pH 6-8) 3.69 9.57 -8.73 0 3 0 21 285.778 3
Lo Low (pH 4.5-6) 3.69 11.12 -93.78 2 3 2 23 287.794 3

Activity (Go SEA)

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