UCSF

ZINC02613856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 7.14 12.82 -17.26 1 3 0 46 414.555 4
Mid Mid (pH 6-8) 7.60 11.58 -51.34 0 3 -1 49 413.547 4

Activity (Go SEA)

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