UCSF

ZINC01076235

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 30 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) 4.48 11.01 -15.84 1 4 0 62 400.522 6
Hi High (pH 8-9.5) 5.07 10.84 -46.18 1 4 -1 68 399.514 5

Activity (Go SEA)

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