UCSF

ZINC08628511

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2007 14 Yes

Other Names:

MFCD11501290

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) 2.17 5.03 -15.54 1 2 0 33 195.168 0
Lo Low (pH 4.5-6) 2.63 3.23 -28.21 2 2 1 34 196.176 0

Activity (Go SEA)

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