UCSF

ZINC08714264

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 16 Yes

Other Names:

MFCD08728876

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) 3.46 0.81 -12.13 1 3 0 41 220.316 6
Lo Low (pH 4.5-6) 3.46 0.46 -28.22 2 3 1 43 221.324 6

Activity (Go SEA)

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