UCSF

ZINC13940364

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 31 No

Other Names:

MFCD03083794

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) 4.82 13 -15.87 0 5 0 53 412.489 8
Ref Reference (pH 7) 4.82 12.62 -17.26 0 5 0 53 412.489 8

Activity (Go SEA)

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