UCSF

ZINC04148705

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 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) 6.52 -0.18 -6.42 0 4 0 55 413.945 4
Mid Mid (pH 6-8) 6.70 -0.12 -7.73 0 4 0 55 413.945 4
Mid Mid (pH 6-8) 6.70 1.2 -8.04 0 4 0 55 413.945 4
Mid Mid (pH 6-8) 6.52 -0.24 -10.69 0 4 0 55 413.945 4

Activity (Go SEA)

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