UCSF

ZINC07785912

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2006 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) 4.08 6.98 -12.39 2 7 0 97 396.422 6
Hi High (pH 8-9.5) 4.08 7.75 -51.16 1 7 -1 99 395.414 6
Hi High (pH 8-9.5) 4.08 7.41 -40.12 1 7 -1 99 395.414 6

Activity (Go SEA)

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