UCSF

ZINC01462856

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 13 No

Other Names:

MFCD00563219

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) 2.01 5.35 -11.38 0 2 0 30 171.199 2
Lo Low (pH 4.5-6) 2.01 5.71 -32.32 1 2 1 31 172.207 2

Activity (Go SEA)

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