UCSF

ZINC15989612

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 20 Yes

Other Names:

MFCD05883349

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) 3.39 7.27 -13.88 1 4 0 70 289.335 4
Mid Mid (pH 6-8) 3.85 5.37 -40.23 0 4 -1 73 288.327 4

Activity (Go SEA)

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