UCSF

ZINC02601647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2004 21 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) 3.43 8.66 -13.35 2 3 0 41 300.427 1
Hi High (pH 8-9.5) 3.47 8.18 -40.25 1 3 -1 41 299.419 1

Activity (Go SEA)

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