UCSF

ZINC00809414

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 26 No

Other Names:

MFCD01575752

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) 2.42 6.2 -11.19 2 6 0 90 363.808 2
Lo Low (pH 4.5-6) 2.42 6.62 -54.3 3 6 1 91 364.816 2

Activity (Go SEA)

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