UCSF

ZINC19536588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 21 Yes

Other Names:

MFCD00810716

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) 3.15 9.23 -34.93 1 2 1 8 285.386 4
Mid Mid (pH 6-8) 3.15 9.29 -36.56 1 2 1 8 285.386 4
Mid Mid (pH 6-8) 3.15 6.91 -5.02 0 2 0 6 284.378 4

Activity (Go SEA)

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