UCSF

ZINC02586364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2004 20 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) 3.36 9.62 -10.28 1 3 0 38 306.456 1
Hi High (pH 8-9.5) 3.82 9.16 -40.58 0 3 -1 41 305.448 1

Activity (Go SEA)

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