UCSF

ZINC02601636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2004 23 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) 4.54 10.43 -11.48 2 3 0 41 328.481 2
Hi High (pH 8-9.5) 4.58 9.19 -39.59 1 3 -1 41 327.473 2

Activity (Go SEA)

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