UCSF

ZINC02613854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 27 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) 7.25 11.55 -17.25 1 3 0 46 433.385 4
Mid Mid (pH 6-8) 7.70 10.32 -51.52 0 3 -1 49 432.377 4

Activity (Go SEA)

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