UCSF

ZINC08701058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 13 Yes

Other Names:

MFCD07636471

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) 1.84 3.41 -5.84 1 2 0 33 179.263 4
Lo Low (pH 4.5-6) 1.84 3.69 -31.35 2 2 1 34 180.271 4

Activity (Go SEA)

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