UCSF

ZINC34633891

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2009 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -5.11 -9.59 -495.05 5 17 -5 305 489.132 10
Mid Mid (pH 6-8) -5.11 -10.74 -329.14 6 17 -4 302 490.14 10
Mid Mid (pH 6-8) -5.11 -10.74 -338.87 6 17 -4 302 490.14 10
Lo Low (pH 4.5-6) -5.11 -11.88 -196.81 7 17 -3 299 491.148 10

Activity (Go SEA)

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