UCSF

ZINC08732346

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 14 No

Other Names:

MFCD07433309

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) 2.37 2.33 -40.59 0 3 -1 39 205.262 2
Mid Mid (pH 6-8) 1.64 3.03 -9.24 1 3 0 42 206.27 2

Activity (Go SEA)

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