UCSF

ZINC19796791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 13 Yes

Other Names:

MFCD01219690

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) 0.53 2.14 -9.24 0 4 0 38 179.223 1
Mid Mid (pH 6-8) 0.53 2.21 -29.28 1 4 1 40 180.231 1

Activity (Go SEA)

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