UCSF

ZINC02869662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 29 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) 5.22 8.64 -21.32 2 7 0 108 405.435 4
Hi High (pH 8-9.5) 5.22 9.25 -53.68 1 7 -1 111 404.427 4

Activity (Go SEA)

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