UCSF

ZINC01117618

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 27 No

Other Names:

MFCD03213735

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) 2.95 8.32 -60.25 0 6 -1 87 382.779 5
Lo Low (pH 4.5-6) 2.95 7.56 -13.77 1 6 0 84 383.787 5

Activity (Go SEA)

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