UCSF

ZINC02790216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 31 No

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) 4.43 13.72 -17.8 1 6 0 64 430.533 8
Mid Mid (pH 6-8) 5.16 13.75 -46.72 0 6 -1 62 429.525 8

Activity (Go SEA)

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