UCSF

ZINC01195207

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 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) 4.78 12.5 -16.14 1 7 0 112 393.786 5
Hi High (pH 8-9.5) 4.96 10.67 -51.37 0 7 -1 118 392.778 5

Activity (Go SEA)

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