UCSF

ZINC04547049

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 25 No

Other Names:

MFCD01917490

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) 3.85 10.64 -17.44 1 4 0 47 366.467 3
Mid Mid (pH 6-8) 4.31 10.19 -46.23 0 4 -1 50 365.459 3

Activity (Go SEA)

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