UCSF

ZINC01117711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 28 No

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) 3.30 9.32 -59.14 0 6 -1 87 441.257 5
Lo Low (pH 4.5-6) 3.30 8.57 -13 1 6 0 84 442.265 5

Activity (Go SEA)

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