UCSF

ZINC00244067

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Other Names:

MFCD01647417

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) 2.65 -1.22 -13.93 1 3 0 42 195.225 1
Mid Mid (pH 6-8) 2.65 -0.97 -27.72 2 3 1 43 196.233 1
Lo Low (pH 4.5-6) 2.65 -0.86 -94.95 3 3 2 44 197.241 1
Lo Low (pH 4.5-6) 2.65 -1.07 -37.02 2 3 1 43 196.233 1

Activity (Go SEA)

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