UCSF

ZINC01019959

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 31 No

Other Names:

MFCD04148051

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) 3.66 9.99 -60.76 0 6 -1 83 416.453 7
Lo Low (pH 4.5-6) 3.66 9.24 -12.08 1 6 0 80 417.461 7

Activity (Go SEA)

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