UCSF

ZINC19816201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 No

Other Names:

MFCD01416737

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) 6.77 10.16 -8.43 2 4 0 62 452.385 4
Lo Low (pH 4.5-6) 6.77 10.62 -56.06 3 4 1 64 453.393 4

Activity (Go SEA)

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